Cas no 85-01-8 (Phenanthrene)

Phenanthrene structure
Phenanthrene structure
Product Name:Phenanthrene
CAS No:85-01-8
MF:C14H10
MW:178.229203701019
MDL:MFCD00001168
CID:34334
PubChem ID:995
Update Time:2025-11-07

Phenanthrene Chemical and Physical Properties

Names and Identifiers

    • Phenanthrene
    • phenanthrene, pure
    • Phenanthrenetech
    • Phenznthrene
    • Phenanthrene Zone Refined (number of passes:30)
    • Phenanthrene solution
    • METHYLENE CHLORIDE IN THE STANDARD MATERIAL OF THE PHILIPPINE ORGANIC POLLUTANTS, CERTIFIED REFERENCE MATERIAL
    • O-DIPHENYLENEETHYLENE
    • Phenanthracene
    • Phenanthren
    • PHENANTHRENE FOR SYNTHESIS
    • Phenanthrene standard solution
    • PHENANTHRENE, REAGENT
    • Phenanthrin
    • PHENANTHRINE
    • Phenantrin
    • Ravatite
    • NSC26256
    • [3]Helicene
    • AI3-00790
    • CCRIS 1233
    • HSDB 2166
    • Phenanthren [German]
    • UNII-448J8E5BST
    • 448J8E5BST
    • YNPNZTXNASCQKK-UHFFFAOYSA-N
    • Phenanthrene, 97%
    • Coal tar pitch volatiles: phenanthrene
    • DSSTox_CID_4254
    • DSSTox_RID_77342
    • DSSTox_GSID_24254
    • PEY
    • Phenanthrenato
    • phenanthroline;
    • 9-Phenanthrene
    • phenanthrene-ring
    • Phenanthrene, 98%
    • Ph
    • HMS2268O22
    • Phenanthrene, zone-refined, >=99.5%
    • Q422037
    • bmse000560
    • Z57139327
    • (3)HELICENE
    • CHEMBL46730
    • Phenanthrene 100 microg/mL in Acetonitrile
    • CID 71309489
    • P2877
    • NCGC00091177-01
    • LS-1845
    • NCGC00091177-03
    • NSC 26256
    • Phenanthrene-13C2
    • BDBM50159266
    • FT-0633623
    • SMR000112025
    • MLS002454437
    • W-104097
    • P0079
    • Phenanthrene 200 microg/mL in Isooctane
    • EINECS 201-581-5
    • Phenanthrene, certified reference material, TraceCERT(R)
    • Phenanthrene-
    • DTXSID6024254
    • EN300-18073
    • NCGC00091177-02
    • A841054
    • InChI=1/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10
    • P1310
    • NCGC00259187-01
    • STL453632
    • FT-0631391
    • 85-01-8
    • Phenanthrene, sublimed grade, >=99.5%
    • NCGC00254398-01
    • 9,10-Dehydrophenanthrene
    • Phenanthrene (purified by sublimation)
    • P0331
    • FT-0673667
    • AKOS008967330
    • Tox21_201638
    • CS-0013733
    • CHEBI:28851
    • AC-11346
    • Fenantreno
    • phenanthren, kemisk rent
    • MFCD00001168
    • NCGC00091177-04
    • AS-12847
    • Phenanthrene, purum, for fluorescence, >=97.0% (HPLC)
    • Phenanthrene 10 microg/mL in Acetonitrile
    • Phenanthrene Zone Refined
    • PHENANTHRENE (IARC)
    • DTXCID904254
    • Phenanthrene 10 microg/mL in Cyclohexane
    • PHENANTHRENE [MI]
    • PHENANTHRENE [HSDB]
    • WLN: L B666J
    • Tox21_300573
    • 1173018-81-9
    • HY-B1727
    • CAS-85-01-8
    • Phenanthrene, analytical standard, for environmental analysis
    • 5-Amino-6-chloro-3-pyridinecarboxylicacidmethylester
    • PHENANTHRENE [IARC]
    • FT-0673668
    • NSC-26256
    • NS00009484
    • DB-043112
    • MDL： MFCD00001168
    • Inchi： 1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
    • InChI Key： YNPNZTXNASCQKK-UHFFFAOYSA-N
    • SMILES： C1C=C2C=CC3C(C2=CC=1)=CC=CC=3
    • BRN： 1905428

Computed Properties

  • Exact Mass: 178.07800
  • Monoisotopic Mass: 178.07825
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 174
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: 4.5
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: White shiny and fluorescent flake crystals
  • Density: 1.063?g/mL?at 25?°C(lit.)
  • Melting Point: 98-100?°C (lit.)
  • Boiling Point: 340?°C(lit.)
  • Flash Point: Fahrenheit: 51.8 ° f < br / > Celsius: 11 ° C < br / >
  • Refractive Index: 1.5943
  • Solubility: Soluble in alcohol, benzene, toluene, and glacial acetic acid
  • Water Partition Coefficient: Insoluble
  • Stability/Shelf Life: Stable. Combustible. Incompatible with strong oxidizing agents.
  • PSA: 0.00000
  • LogP: 3.99300
  • Merck: 7212
  • Color/Form: 5000?μg/mL in methanol
  • Solubility: Insoluble in water, slightly soluble in ethanol, soluble in ether, glacial acetic acid, benzene, carbon tetrachloride, carbon disulfide, etc
  • Sensitiveness: Sensitive to light

Phenanthrene Security Information

Phenanthrene Customs Data

  • HS CODE：2902909090
  • Customs Data：

    China Customs Code:

    2902909090

    Overview:

    2902909090. Other aromatic hydrocarbons. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:2.0%. general tariff:30.0%

    Declaration elements:

    Product Name, component content

    Summary:

    2902909090 other aromatic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

Phenanthrene Pricemore >>

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Phenanthrene Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Grubbs' catalyst ;  8 h, 25 °C
Reference
Polycyclic Aromatic Hydrocarbons by Ring-Closing Metathesis
Bonifacio, Margel C.; et al, Journal of Organic Chemistry, 2005, 70(21), 8522-8526

Production Method 2

Reaction Conditions
1.1 Catalysts: Grubbs second generation catalyst Solvents: Dichloromethane ;  24 h, 20 °C
Reference
Studies towards the total synthesis of Sch 56036; isoquinolinone synthesis and the synthesis of phenanthrenes
Walker, Edward R.; et al, Tetrahedron Letters, 2005, 46(38), 6537-6540

Production Method 3

Reaction Conditions
1.1 Reagents: Ammonia ,  Diboronic acid Catalysts: Palladium Solvents: Methanol ,  1,2-Dichloroethane ;  1 h, 50 °C
Reference
Catalytic Reductions Without External Hydrogen Gas: Broad Scope Hydrogenations with Tetrahydroxydiboron and a Tertiary Amine
Korvinson, Kirill A.; et al, Advanced Synthesis & Catalysis, 2020, 362(1), 166-176

Production Method 4

Reaction Conditions
1.1 Reagents: Azobisisobutyronitrile ,  1,3-Bis(1,1-dimethylethyl)hexahydro-1,3,2-diazaphosphorine Solvents: Toluene ;  5 h, 90 °C
Reference
Exploiting the radical reactivity of diazaphosphinanes in hydrodehalogenations and cascade cyclizations
Zhang, Jingjing; et al, Chemical Science, 2020, 11(18), 4786-4790

Production Method 5

Reaction Conditions
1.1 Reagents: Aluminum chloride
Reference
A convenient reduction of functionalized polycyclic aromatics into parent hydrocarbons
Node, Manabu; et al, Tetrahedron Letters, 1982, 23(6), 689-92

Production Method 6

Reaction Conditions
1.1 Catalysts: Di-μ-bromohexacarbonylbis(tetrahydrofuran)dirhenium Solvents: 1,2-Dichloroethane ;  24 h, 25 °C
Reference
Indium-catalyzed construction of polycyclic aromatic hydrocarbon skeletons via dehydration
Kuninobu, Yoichiro; et al, Journal of Organic Chemistry, 2011, 76(17), 7005-7009

Production Method 7

Reaction Conditions
1.1 Reagents: Methyldimethoxysilane Catalysts: Bis(1,5-cyclooctadiene)nickel ,  Tricyclohexylphosphine Solvents: Toluene ;  rt; 12 h, 80 °C; cooled
Reference
Nickel-catalyzed reductive cleavage of aryl-oxygen bonds in alkoxy- and pivaloxyarenes using hydrosilanes as a mild reducing agent
Tobisu, Mamoru; et al, Chemical Communications (Cambridge, 2011, 47(10), 2946-2948

Production Method 8

Reaction Conditions
1.1 Reagents: Sodium tert-butoxide Catalysts: Bis(1,5-cyclooctadiene)nickel ,  1H-Imidazolium, 1,3-bis(tricyclo[3.3.1.13,7]dec-2-yl)-, chloride (1:1) Solvents: Toluene ;  3 min, rt
1.2 Solvents: Toluene ;  18 h, 160 °C
Reference
Nickel-catalyzed reductive cleavage of aryl alkyl ethers to arenes in absence of external reductant
Tobisu, Mamoru; et al, Chemical Science, 2015, 6(6), 3410-3414

Production Method 9

Reaction Conditions
1.1 Reagents: Tetrahydrofuran ,  Iodine Solvents: Toluene ,  Tetrahydrofuran ;  7 h, rt
Reference
Synthesis of derivatives of phenanthrene and helicene by improved procedures of photocyclization of stilbenes
Talele, Harish R.; et al, Bulletin of the Chemical Society of Japan, 2009, 82(9), 1182-1186

Production Method 10

Reaction Conditions
1.1 Solvents: Triethyl phosphite
Reference
Anomalous reactions of diethyl sodiophosphite and triethyl phosphite with some halogen derivatives
Arbuzov, B. A.; et al, Izvestiya Akademii Nauk SSSR, 1954, 837, 837-45

Production Method 11

Reaction Conditions
1.1 Reagents: Sodium carbonate ,  tert-Butyl nitrite Catalysts: Acridine Orange base Solvents: Dimethyl sulfoxide ;  0 °C; 6 h, rt
Reference
Visible-Light-Mediated Synthesis of Phenanthrenes through Successive Photosensitization and Photoredox by a Single Organocatalyst
Mandal, Tanumoy; et al, Organic Letters, 2022, 24(45), 8452-8457

Production Method 12

Reaction Conditions
1.1 Catalysts: Bis(1,5-cyclooctadiene)nickel ,  1,3-Bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene Solvents: Tetrahydrofuran ;  48 h, rt
Reference
Catalytic disproportionation via carbonate redox tags - a unified strategy for mild hydrogenolysis and oxidations of C-O bonds
Toupalas, Georgios; et al, ChemRxiv, 2022, 1, 1-29

Production Method 13

Reaction Conditions
1.1 Reagents: Sodium borohydride Catalysts: Ferrous chloride Solvents: Acetonitrile ;  15 min, rt
1.2 Solvents: Acetonitrile ;  16 h, 50 °C
1.3 Reagents: Water ;  15 min, rt
Reference
Iron-Catalyzed Reductive Radical Cyclization of Organic Halides in the Presence of NaBH4: Evidence of an Active Hydrido Iron(I) Catalyst
Ekomie, Audrey; et al, Angewandte Chemie, 2012, 51(28), 6942-6946

Production Method 14

Reaction Conditions
1.1 Catalysts: Palladium diacetate Solvents: Cyclohexane ;  24 h, 140 °C
Reference
A general and efficient aldehyde decarbonylation reaction by using a palladium catalyst
Modak, Atanu; et al, Chemical Communications (Cambridge, 2012, 48(35), 4253-4255

Production Method 15

Reaction Conditions
1.1 Reagents: Hexamethylditin Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: 1,4-Dioxane
Reference
The Stille reaction
Farina, Vittorio; et al, Organic Reactions (Hoboken, 1997, 50,

Production Method 16

Reaction Conditions
1.1 Reagents: Hexamethylditin Catalysts: Tetrakis(triphenylphosphine)palladium
Reference
Intramolecular biaryl coupling: asymmetric synthesis of the chiral B-ring diol unit of pradimicinone
Kelly, T. Ross; et al, Tetrahedron Letters, 1990, 31(2), 161-4

Production Method 17

Reaction Conditions
1.1 Catalysts: Potassium iodide Solvents: Hexane ;  1.75 h
Reference
Air-Driven Potassium Iodide-Mediated Oxidative Photocyclization of Stilbene Derivatives
Matsushima, Tomoya; et al, Journal of Organic Chemistry, 2016, 81(17), 7799-7806

Production Method 18

Reaction Conditions
1.1 Reagents: Diphenyl diselenide ,  Oxygen Solvents: Cyclohexane
Reference
Photocyclization of stilbenes and related molecules
Mallory, Frank B.; et al, Organic Reactions (Hoboken, 1984, 30,

Production Method 19

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: 1,4-Dioxane ,  Water
Reference
The Ramberg-Backlund rearrangement
Paquette, Leo A., Organic Reactions (Hoboken, 1977, 25,

Production Method 20

Reaction Conditions
1.1 Solvents: 1,4-Dioxane ,  Water
Reference
α-Halo sulfones. I. Conformational requirements of α-sulfonyl carbanions in the synthesis of phenanthrenes from 2-chloro-2,7-dihydro-3,4,5,6-dibenzothiepin 1,1-dioxides
Paquette, Leo A., Journal of the American Chemical Society, 1964, 86(19), 4085-9

Production Method 21

Reaction Conditions
1.1 Catalysts: Benzyltrimethylammonium tribromide Solvents: Dichloromethane ;  2 h, 25 °C
Reference
Ring-closing olefin metathesis of 2,2'-divinylbiphenyls: A novel and general approach to phenanthrenes
Iuliano, Anna; et al, Organic Letters, 2004, 6(21), 3711-3714

Production Method 22

Reaction Conditions
1.1 Reagents: Sodium borohydride Catalysts: Azobisisobutyronitrile Solvents: Acetonitrile ;  5 h, 80 °C
Reference
Stannylated Vinylic Addition Polynorbornene: Probing a Reagent for Friendly Tin-Mediated Radical Processes
Garcia-Loma, Rodrigo; et al, European Journal of Organic Chemistry, 2017, 2017(29), 4247-4254

Production Method 23

Reaction Conditions
1.1 Reagents: Aluminum chloride Catalysts: Ethanethiol
Reference
Hard acid and soft nucleophile system. VII. A convenient reduction of functionalized polyarenes to parent polyarenes
Node, Manabu; et al, Chemical & Pharmaceutical Bulletin, 1983, 31(12), 4306-11

Production Method 24

Reaction Conditions
1.1 Catalysts: Trifluoromethanesulfonic acid Solvents: 1,1,1,3,3,3-Hexafluoro-2-propanol ;  20 min, 0 °C
1.2 Solvents: Water ;  pH 7
Reference
Facile Synthesis of Polycyclic Aromatic Hydrocarbons: Bronsted Acid Catalyzed Dehydrative Cycloaromatization of Carbonyl Compounds in 1,1,1,3,3,3-Hexafluoropropan-2-ol
Fujita, Takeshi; et al, European Journal of Organic Chemistry, 2017, 2017(2), 262-265

Production Method 25

Reaction Conditions
1.1 Catalysts: Bismuth triflate Solvents: 1,2-Dichloroethane ;  2 h, 25 °C
Reference
Bismuth-Catalyzed Synthesis of Polycyclic Aromatic Hydrocarbons (PAHs) with a Phenanthrene Backbone via Cyclization and Aromatization of 2-(2-Arylphenyl)vinyl Ethers
Murai, Masahito; et al, Organic Letters, 2014, 16(16), 4134-4137

Production Method 26

Reaction Conditions
1.1 Catalysts: Cobalt(II) acetylacetonate ,  1H-Imidazolium, 1,3-bis[2,6-bis(1-methylethyl)phenyl]-4,5-dihydro-, chloride (1:… Solvents: Tetrahydrofuran ;  10 min, rt
1.2 Reagents: Hexylmagnesium bromide Solvents: Tetrahydrofuran ;  12 h, 70 °C
Reference
Cobalt-Catalyzed Reduction of Aryl Sulfones to Arenes by Means of Alkylmagnesium Reagents
Fukuda, Jun-ichi; et al, Asian Journal of Organic Chemistry, 2018, 7(10), 2049-2052

Production Method 27

Reaction Conditions
1.1 Reagents: Hexamethylditin Catalysts: Tetrakis(triphenylphosphine)palladium
Reference
Intramolecular biaryl coupling: asymmetric synthesis of the chiral B-ring diol unit of pradimicinone
Kelly, T. Ross; et al, Tetrahedron Letters, 1990, 31(2), 161-4

Production Method 28

Reaction Conditions
1.1 Reagents: Aluminum chloride
Reference
A convenient reduction of functionalized polycyclic aromatics into parent hydrocarbons
Node, Manabu; et al, Tetrahedron Letters, 1982, 23(6), 689-92

Production Method 29

Reaction Conditions
1.1 Reagents: Oxygen Catalysts: Iodine Solvents: Cyclohexane ;  8 min, rt
Reference
Efficient synthetic photocyclization for phenacenes using a continuous flow reactor
Okamoto, Hideki; et al, Chemistry Letters, 2014, 43(7), 994-996

Production Method 30

Reaction Conditions
1.1 Reagents: Iodine Solvents: Toluene ,  Tetrahydrofuran ;  2 h, rt
1.2 Reagents: Sodium thiosulfate Solvents: Water ;  rt
Reference
Continuous flow photocyclization of stilbenes - scalable synthesis of functionalized phenanthrenes and helicenes
Lefebvre, Quentin; et al, Beilstein Journal of Organic Chemistry, 2013, 9, 1883-1890

Production Method 31

Reaction Conditions
1.1 Catalysts: Bis(1,5-cyclooctadiene)nickel ,  1,3-Bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene Solvents: Tetrahydrofuran ;  48 h, rt
Reference
Ni-catalyzed mild hydrogenolysis and oxidations of C-O bonds via carbonate redox tags
Toupalas, Georgios ; et al, Nature Communications, 2023, 14(1),

Production Method 32

Reaction Conditions
1.1 Solvents: Dimethylformamide ;  4 h, 90 °C
Reference
Nickel-Catalyzed Synthesis of Stereochemically Defined Enamides via Bi- and Tricomponent Coupling Reaction
Liu, Y.; et al, Organic Letters, 2017, 19(19), 5034-5037

Production Method 33

Reaction Conditions
1.1 Reagents: Oxygen Catalysts: Molybdovanadophosphoric acid (H5PMo10V2O40) (tetraglyme complex) Solvents: 1,2-Dichloroethane
Reference
Aromatization of hydrocarbons by oxidative dehydrogenation catalyzed by the mixed addenda heteropoly acid H5PMo10V2O40
Neumann, Ronny; et al, Journal of Organic Chemistry, 1989, 54(19), 4607-10

Production Method 34

Reaction Conditions
1.1 Reagents: Graphite (acidic, graphite oxide) Solvents: Chloroform ;  24 h, 100 °C; 100 °C → rt
Reference
C-H oxidation using graphite oxide
Jia, Hong-Peng; et al, Tetrahedron, 2011, 67(24), 4431-4434

Production Method 35

Reaction Conditions
1.1 Reagents: Chlorotrimethylsilane ,  Sodium iodide Solvents: Acetonitrile
Reference
Synthesis of 1,4-, 2,4-, and 3,4-dimethylphenanthrenes: a novel deoxygenation of arene 1,4-endoxides with trimethylsilyl iodide
Jung, Kee Yong; et al, Journal of Organic Chemistry, 1989, 54(24), 5667-75

Production Method 36

Reaction Conditions
Reference
Deoxygenation of 1,4-epoxy-1,4-dihydroarenes with enneacarbonyldiiron
Best, Wayne M.; et al, Australian Journal of Chemistry, 1982, 35(4), 843-8

Production Method 37

Reaction Conditions
1.1 Reagents: Triphenyl phosphite Catalysts: Rhenium oxide (Re2O7) Solvents: Toluene ;  18 h, 80 °C
Reference
Regioselective arene homologation through rhenium-catalyzed deoxygenative aromatization of 7-oxabicyclo[2.2.1]hepta-2,5-dienes
Murai, Masahito; et al, Chemical Communications (Cambridge, 2019, 55(16), 2332-2335

Production Method 38

Reaction Conditions
1.1 Reagents: Lithium tert-butoxide ,  Water Catalysts: Cobalt dibromide ,  1H-Imidazolium, 1,3-bis[2,6-bis(1-methylethyl)phenyl]-, chloride (1:1) Solvents: Tetrahydrofuran ;  6 h, 80 °C; 80 °C → rt
1.2 Reagents: Ammonium chloride Solvents: Water ;  rt
Reference
Cobalt-Catalyzed Protodeboronation of Aryl and Vinyl Boronates
Li, Ninglin; et al, Journal of Organic Chemistry, 2021, 86(2), 1972-1979

Production Method 39

Reaction Conditions
1.1 Reagents: Diisopropylethylamine Catalysts: Iridium(1+), [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-κN1,κN1′]bis[2-(2-pyri… Solvents: Acetonitrile ;  25 °C
Reference
Visible-light-induced photocatalytic reductive transformations of organohalides
Kim, Hyejin; et al, Angewandte Chemie, 2012, 51(49), 12303-12306

Phenanthrene Raw materials

Phenanthrene Preparation Products

Phenanthrene Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:85-01-8)Phenanthrene
Order Number:A1205347
Stock Status:in Stock
Quantity:25g/500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 03:41
Price ($):162.0/175.0
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:85-01-8)Phenanthrene
Order Number:LE12316
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:06
Price ($):discuss personally

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Amadis Chemical Company Limited
(CAS:85-01-8)Phenanthrene
A1205347
Purity:99%/99%
Quantity:25g/500g
Price ($):162.0/175.0
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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:85-01-8)Phenanthrene
LE12316
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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