Cas no 91-60-1 (2-Naphtalenethiol)

2-Naphtalenethiol structure
2-Naphtalenethiol structure
Product Name:2-Naphtalenethiol
CAS No:91-60-1
MF:C10H8S
MW:160.235521316528
MDL:MFCD00004086
CID:34611
PubChem ID:7058
Update Time:2024-03-01

2-Naphtalenethiol Chemical and Physical Properties

Names and Identifiers

    • Naphthalene-2-thiol
    • 2-Naphthalenethiol
    • 2-Thionaphthol
    • 2-Mercaptonaphthalene
    • Thio-2-naphthol
    • 2-Naphthyl mercaptan
    • Thionaphthol
    • Vulcamel TBN
    • Renacit 1
    • 2-Naphthyl thiol
    • RPA No. 2
    • RPA 2
    • beta-Naphthalenethiol
    • USAF CY-4
    • beta-Naphthyl mercaptan
    • beta-Mercaptonaphthalene
    • 2-naphthalenthiol
    • .beta.-Mercaptonaphthalene
    • 2-naphthalene thiol
    • .beta.-Thionaphthol
    • FEMA No. 3314
    • Thio-.beta.-naphthol
    • 2-naphthyl hydrosulfide
    • .beta.-Naphthalenethiol
    • .beta.-Naphthyl mer
    • NSC 4749
    • β-Mercaptonaphthalene
    • β-Naphthalenethiol
    • β-Naphthyl mercaptan
    • β-Thionaphthol
    • 2-Naphtalenethiol
    • MDL: MFCD00004086
    • Inchi: 1S/C10H8S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
    • InChI Key: RFCQDOVPMUSZMN-UHFFFAOYSA-N
    • SMILES: SC1C=C2C(C=CC=C2)=CC=1
    • BRN: 636389

Computed Properties

  • Exact Mass: 160.03500
  • Monoisotopic Mass: 160.034671
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 133
  • 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
  • XLogP3: 3.7
  • Topological Polar Surface Area: 1
  • Surface Charge: 0
  • Tautomer Count: 3

Experimental Properties

  • Color/Form: Light yellow crystalline powder.
  • Density: 1.22
  • Melting Point: 79-81?°C (lit.)
  • Boiling Point: 286?°C(lit.)
  • Flash Point: 69 °C
  • Refractive Index: 1.589-1.591
  • Solubility: diethyl ether: very soluble(lit.)
  • Water Partition Coefficient: Soluble in alcohol, dipropylene glycol. Soluble in water 34.4 mg/L @ 25°C.
  • PSA: 38.80000
  • LogP: 3.12850
  • Merck: 6379
  • Sensitiveness: Air Sensitive
  • FEMA: 3314
  • Solubility: It is easily soluble in ethanol, ether and petroleum ether, and slightly soluble in water.

2-Naphtalenethiol Security Information

2-Naphtalenethiol Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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2-Naphtalenethiol Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Perchloric acid Solvents: Benzene ;  1 h, 80 °C
Reference
Integration of a Four-Step Reaction into One-Pot under the Coexistence of Silica-Gel-Supported Acid and Base Reagents: Synthesis of Benzo- and Naphthothiophenes Using NaHSO4/SiO2 and Na2CO3/SiO2
Hayakawa, Mamiko; Aoyama, Tadashi; Nakaoka, Kyohei; Kosuge, Masayuki; Ouchi, Akihiko, Synthesis, 2019, 51(12), 2572-2578

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrochloric acid
Reference
Simple syntheses of aryl alkyl thioethers and of aromatic thiols from unactivated aryl halides and efficient methods for selective dealkylation of aryl alkyl ethers and thioethers
Testaferri, L.; Tiecco, M.; Tingoli, M.; Chianelli, D.; Montanucci, M., Synthesis, 1983, (9), 751-5

Production Method 3

Reaction Conditions
1.1 Reagents: 1,2-Ethanedithiol ,  Potassium hydroxide Catalysts: Copper sulfate Solvents: Dimethyl sulfoxide ,  Water ;  20 h, 90 °C
Reference
Copper(II)-Catalyzed Single-Step Synthesis of Aryl Thiols from Aryl Halides and 1,2-Ethanedithiol
Liu, Yajun; Kim, Jihye; Seo, Heesun; Park, Sunghyouk; Chae, Junghyun, Advanced Synthesis & Catalysis, 2015, 357(10), 2205-2212

Production Method 4

Reaction Conditions
1.1 Catalysts: Triphenylphosphine ,  Iodine Solvents: Benzene ;  reflux
Reference
Triphenylphosphine-Iodine
Dormoy, Jean-Robert; Castro, Bertrand, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, ,

Production Method 5

Reaction Conditions
1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran
Reference
Radical ions. 89. One-electron oxidation of diaryl disulfides with aluminum trichloride/dichloromethane
Bock, Hans; Rittmeyer, Peter, Phosphorus, 1992, 68(1-4), 261-91

Production Method 6

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Cobalt sulfide Solvents: Chlorobenzene
Reference
Catalytic reduction of 2-naphthalenesulfonyl chloride to 2-thionaphthol by hydrogen
Tret'yakov, V. P.; Zimtseva, G. P.; Chudaev, V. V.; Rudakov, E. S.; Ponomarev, V. N.; et al, Zhurnal Prikladnoi Khimii (Sankt-Peterburg, 1988, 61(4), 948-51

Production Method 7

Reaction Conditions
Reference
A convenient synthesis of aromatic thiols from unactivated aryl halides
Testaferri, L.; Tingoli, M.; Tiecco, M., Tetrahedron Letters, 1980, 21(32), 3099-100

Production Method 8

Reaction Conditions
1.1 Reagents: Cesium carbonate ,  Sodium thiosulfate Catalysts: Tris(dibenzylideneacetone)dipalladium ,  X-Phos Solvents: tert-Butanol ,  Toluene ,  Water ;  rt; 24 h, 80 °C
1.2 Reagents: Zinc ,  Hydrochloric acid Solvents: Water ;  1 h, cooled
Reference
Palladium catalyzed synthesis of aryl thiols: Sodium thiosulfate as a cheap and nontoxic mercapto surrogate
Yi, Jun; Fu, Yao; Xiao, Bin; Cui, Wei-Chen; Guo, Qing-Xiang, Tetrahedron Letters, 2011, 52(2), 205-208

Production Method 9

Reaction Conditions
1.1 Reagents: Triphenylphosphine Solvents: Heptane ;  85 °C; 1 h, 85 °C; 85 °C → 50 °C
1.2 Reagents: Water ;  10 min, 50 °C
Reference
Preparation and characterization of thiophenol compounds
Feng, Baicheng; Liu, Peng; Jing, Liqian, Qingdao Keji Daxue Xuebao, 2011, 32(3), 252-255

Production Method 10

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Cobalt Solvents: Tetrahydrofuran
Reference
Reduction of sulfonyl chlorides to thiols
Mylroie, Victor L.; Doles, Joseph K., Chemical Industries (Dekker), 1990, 40, 189-96

Production Method 11

Reaction Conditions
1.1 Solvents: Acetonitrile
Reference
Photochemistry and photophysics of aromatic sulfoxides. 9. Photochemistry of benzyl β-naphthyl sulfoxide and characterization of the β-naphthylsulfinyl radical
Guo, Yushen; Darmanyan, Alexandre P.; Jenks, William S., Tetrahedron Letters, 1997, 38(50), 8619-8622

Production Method 12

Reaction Conditions
1.1 Reagents: Ethanethiol ,  Sodium hydride Solvents: Dimethylformamide ;  0 °C; 30 min, rt
1.2 Solvents: Dimethylformamide ;  24 h, reflux; cooled
1.3 Reagents: Hydrochloric acid Solvents: Water
Reference
Camphor-Based Schiff Base Of 3-Endo-Aminoborneol (SBAB): Novel Ligand for Vanadium-Catalyzed Asymmetric Sulfoxidation and Subsequent Kinetic Resolution
Chuo, Ting Hung; Boobalan, Ramalingam; Chen, Chinpiao, ChemistrySelect, 2016, 1(10), 2174-2180

Production Method 13

Reaction Conditions
1.1 Catalysts: 1-Naphthalenethiol
Reference
Aqueous high-temperature chemistry of carbo- and heterocycles. Part 16. Model sulfur compounds: a study of hydrogen sulfide generation
Katritzky, Alan R.; Murugan, Ramiah; Balasubramanian, Marudai; Greenhill, John V.; Siskin, Michael; et al, Energy & Fuels, 1991, 5(6), 823-34

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Suzhou Senfeida Chemical Co., Ltd
(CAS:91-60-1)2-Naphthalenethiol
sfd17784;1665052
Purity:99%/98%
Quantity:200KG/Company Customization
Price ($):Inquiry/Inquiry
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Jiangsu Xinsu New Materials Co., Ltd
(CAS:91-60-1)
SFD1738
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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