Cas no 830-03-5 (4-Nitrophenyl acetate)

4-Nitrophenyl acetate structure
4-Nitrophenyl acetate structure
Product Name:4-Nitrophenyl acetate
CAS No:830-03-5
MF:C8H7NO4
MW:181.145482301712
MDL:MFCD00007326
CID:83116
PubChem ID:24897853
Update Time:2024-10-27

4-Nitrophenyl acetate Chemical and Physical Properties

Names and Identifiers

    • 4-Nitrophenyl acetate
    • Acetic acid 4-nitrophenyl ester
    • (4-nitrophenyl) acetate
    • 4-Nitrophenyl Acetat
    • p-Nitrophenylacetate
    • p-acetoxynitrobenzene
    • p-nitrophenol acetate
    • NSC 2633
    • p-Nitrobenzene acetate
    • acetic acid, 4-nitrophenyl ester
    • p-nitrophenyl acetate
    • Acetic acid p-nitrophenyl ester
    • Acetic acid, p-nitrophenyl ester
    • p-Nitrophenyl acetate (VAN)
    • P-ACETOXY NITROBENZEN
    • I902J0QH9S
    • Acetic acid 4-nitro-phenyl ester
    • QAUUDNIGJSLPSX-UHFFFAOYSA-N
    • Aceticacid,P-Nitrophenylester
    • 4-Nitrop
    • Acetic acid, p-nitrophenyl ester (6CI, 8CI)
    • Phenol, p-nitro-, acetate (7CI)
    • 4-Acetyloxy-1-nitrobenzene
    • CHEBI:82635
    • A840484
    • Q27156150
    • F31024
    • 4-O2NC6H4OAc
    • NSC2633
    • SCHEMBL74985
    • P-NITROPHENYL ACETATES
    • 4-Nitrophenyl acetate, esterase substrate
    • AKOS015833423
    • N-3900
    • SY010750
    • NSC-2633
    • NS00022825
    • para-nitrophenyl acetate
    • CHEMBL40988
    • 4-Nitrophenyl acetate, >=99.0% (GC)
    • WLN: WNR DOV1
    • EINECS 212-593-5
    • UNII-I902J0QH9S
    • PNP-ACETATE
    • BDBM11326
    • AI3-00496
    • FT-0619251
    • 4-06-00-01298 (Beilstein Handbook Reference)
    • MFCD00007326
    • CS-W017169
    • Phenol, p-nitro-, acetate
    • AS-19298
    • BRN 0515874
    • K4V
    • 830-03-5
    • DTXSID2061191
    • A0040
    • DTXCID0048341
    • 4-nitrophenylacetate
    • Acetic acid pnitrophenyl ester
    • Acetic acid, pnitrophenyl ester
    • pNitrophenyl acetate
    • DB-056674
    • pAcetoxynitrobenzene
    • pNitrophenol acetate
    • Acetic acid, 4nitrophenyl ester
    • MDL: MFCD00007326
    • Inchi: 1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3
    • InChI Key: QAUUDNIGJSLPSX-UHFFFAOYSA-N
    • SMILES: O=C(C)OC1C=CC([N+](=O)[O-])=CC=1
    • BRN: 0515874

Computed Properties

  • Exact Mass: 181.03800
  • Monoisotopic Mass: 181.03750770g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 203
  • 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
  • Tautomer Count: nothing
  • XLogP3: 1.5
  • Topological Polar Surface Area: 72.1

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.304±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 77.0 to 80.0 deg-C
  • Boiling Point: 314.24°C (rough estimate)
  • Refractive Index: 1.5468 (estimate)
  • Solubility: Very slightly soluble (0.72 g/l) (25 o C),
  • Water Partition Coefficient: Insoluble in water.
  • Stability/Shelf Life: Stable. Combustible. Incompatible with strong oxidizing agents.
  • PSA: 72.12000
  • LogP: 2.04330
  • Solubility: Not determined

4-Nitrophenyl acetate Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 11-34
  • Safety Instruction: S24/25
  • RTECS:AJ1150000
  • Hazardous Material Identification: F C
  • Risk Phrases:R11; R34
  • TSCA:Yes
  • Storage Condition:0-10°C

4-Nitrophenyl acetate Customs Data

  • HS CODE:2915390090
  • Customs Data:

    China Customs Code:

    2915390090

    Overview:

    2915390090. Other acetate esters. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%

4-Nitrophenyl acetate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
215553-5g
4-Nitrophenyl acetate
830-03-5 95%
5g
£10.00 2022-03-01
Fluorochem
215553-25g
4-Nitrophenyl acetate
830-03-5 95%
25g
£29.00 2022-03-01
Fluorochem
215553-100g
4-Nitrophenyl acetate
830-03-5 95%
100g
£93.00 2022-03-01
HE FEI BO MEI SHENG WU KE JI YOU XIAN ZE REN GONG SI
XN3916-25g
4-Nitrophenyl acetate
830-03-5 ≥99%
25g
¥590元 2023-09-15
HE FEI BO MEI SHENG WU KE JI YOU XIAN ZE REN GONG SI
XN3916-5g
4-Nitrophenyl acetate
830-03-5 ≥99%
5g
¥210元 2023-09-15
HE FEI BO MEI SHENG WU KE JI YOU XIAN ZE REN GONG SI
XN8130-25g
4-Nitrophenyl acetate
830-03-5 ≥99%
25g
¥700元 2023-09-15
HE FEI BO MEI SHENG WU KE JI YOU XIAN ZE REN GONG SI
XN8130-5g
4-Nitrophenyl acetate
830-03-5 ≥99%
5g
¥300元 2023-09-15
Chemenu
CM243568-500g
4-Nitrophenyl acetate
830-03-5 95+%
500g
$326 2021-06-16
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R015359-100g
4-Nitrophenyl acetate
830-03-5 98%
100g
¥427 2024-05-21
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R015359-25g
4-Nitrophenyl acetate
830-03-5 98%
25g
¥101 2024-05-21

4-Nitrophenyl acetate Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Silica ;  50 min, rt
Reference
Highly efficient solvent-free acetylation of alcohols with acetic anhydride catalyzed by recyclable sulfonic acid catalyst (SBA-15-Ph-Pr-SO3H) - An environmentally benign method
Zareyee, Daryoush; et al, Canadian Journal of Chemistry, 2012, 90(5), 464-468

Production Method 2

Reaction Conditions
1.1 Catalysts: Silica ,  12-Tungstosilicic acid ;  3 min, 25 °C
1.2 Reagents: Water ;  25 °C
Reference
Acetylation of alcohols and phenols using continuous-flow, tungstosilicic acid-supported, monolith microreactors with scale-up capability
He, Ping; et al, Journal of Flow Chemistry, 2012, 2, 47-51

Production Method 3

Reaction Conditions
1.1 Catalysts: Titania ;  40 min, 25 °C
Reference
TiO2, a simple and an efficient catalyst for esterification of phenols under solvent-free condition
Pasha, Mohamed Afzal; et al, Indian Journal of Chemistry, 2008, (4), 597-600

Production Method 4

Reaction Conditions
1.1 Reagents: Pyridine Solvents: Dichloromethane ;  0 °C → rt; 3 h, rt
Reference
NIS/TBHP Induced Regioselective Selenation of (Hetero)Arenes via Direct C-H Functionalization
Ding, Chaochao; et al, ChemCatChem, 2018, 10(23), 5397-5401

Production Method 5

Reaction Conditions
1.1 Catalysts: Ferric perchlorate Solvents: Acetic acid ;  24 h, rt
Reference
Catalytic acetylation of alcohols and phenols with ferric perchlorate in acetic acid
Heravi, Majid M.; et al, Catalysis Communications, 2006, 7(3), 136-139

Production Method 6

Reaction Conditions
1.1 Catalysts: Cesium hydrogen tetracosa-μ-oxododecaoxo[μ12-[phosphato(3-)-κO:κO:κO:κO′:κO′:κO′… Solvents: Acetonitrile ;  30 min, 50 °C
Reference
Characterization of novel Cs and K substituted phosphotungstic acid modified MCM-41 catalyst and its catalytic activity towards acetylation of aromatic alcohols
Rana, Surjyakanta; et al, Journal of Chemical Sciences (Bangalore, 2012, 124(5), 1117-1125

Production Method 7

Reaction Conditions
1.1 Catalysts: 1H-1,4-Diazepine, 2,3-dihydro-5,7-dimethyl-, compd. with perchlorate (1:1) ;  rt; 4 h, 40 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  neutralized, cooled
Reference
Diazepinium perchlorate: a neutral catalyst for mild, solvent-free acetylation of carbohydrates and other substances
Giri, Santosh Kumar; et al, RSC Advances, 2017, 7(22), 13653-13667

Production Method 8

Reaction Conditions
1.1 rt; 5 min, 150 °C; cooled
Reference
Catalyst-free esterification of alcohols using 2-acyl-4,5-dichloropyridazinones under microwave conditions
Kim, Bo Ram; et al, Tetrahedron, 2013, 69(15), 3234-3237

Production Method 9

Reaction Conditions
1.1 Reagents: Ceric ammonium nitrate ;  2 - 4 min, rt; 3 min, heated
Reference
Solid-state regioselective nitration of activated hydroxyaromatics and hydroxycoumarins with cerium(IV) ammonium nitrate
Ganguly, Nemai C.; et al, Journal of Chemical Research, 2005, (11), 733-735

Production Method 10

Reaction Conditions
Reference
Mercuration of diethyl aryl phosphate with mercuric acetate
El-Sawi, E.; et al, Journal of the Indian Chemical Society, 1981, 58(9), 831-5

Production Method 11

Reaction Conditions
1.1 Reagents: Sodium nitrite Solvents: Acetic acid ,  Acetic anhydride
1.2 Reagents: Water
Reference
Conversion of N-Aromatic Amides to O-Aromatic Esters
Glatzhofer, Daniel T.; et al, Organic Letters, 2002, 4(14), 2349-2352

Production Method 12

Reaction Conditions
1.1 Catalysts: Sulfuric acid (silica-bound) Solvents: Dichloromethane ;  45 min, rt
Reference
An efficient and convenient method for desilylation-acetylation of trimethylsilyl ethers catalyzed by silica sulfuric acid
Jin, Tong-Shou; et al, Asian Journal of Chemistry, 2008, 20(7), 5005-5010

Production Method 13

Reaction Conditions
1.1 20 min, 80 °C
Reference
Chemoselective acylation of amines, thiols, and phenols using 2,4,6-triacyloxy-1,3,5-triazine (TAT) as a new and effective reagent under mild condition
Gholap, Somnath S.; et al, Journal of the Indian Chemical Society, 2009, 86(2), 179-182

Production Method 14

Reaction Conditions
1.1 Reagents: Pyridine Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ;  2 h, rt
Reference
Lens culinaris: A new biocatalyst for reducing carbonyl and nitro groups
Ferreira, Daniele Alves; et al, Biotechnology and Bioprocess Engineering, 2012, 17(2), 407-412

Production Method 15

Reaction Conditions
1.1 Catalysts: Bismuth trichloride Solvents: Acetic acid
Reference
A convenient and chemoselective acetylation and formylation of alcohols and phenols using acetic acid and ethyl formate in the presence of Bi(III) salts
Mohammadpoor-Baltork, Iraj; et al, Journal of Chemical Research, 2001, (7), 280-282

Production Method 16

Reaction Conditions
1.1 Reagents: (Diethylamino)sulfur trifluoride Catalysts: 4-(Dimethylamino)pyridine Solvents: Acetonitrile ;  rt; 6 h, rt
Reference
Acylation of phenols to phenolic esters with organic salts
Zhang, Zhanrong; et al, Green Chemistry, 2022, 24(24), 9763-9771

Production Method 17

Reaction Conditions
1.1 5 min, rt → 100 °C
Reference
Rapid and ecofriendly esterification of alcohols with 2-acylpyridazinones
Kim, Bo Ram; et al, Bulletin of the Korean Chemical Society, 2013, 34(11), 3410-3414

Production Method 18

Reaction Conditions
1.1 Catalysts: Aluminum chloride Solvents: Tetrahydrofuran ;  1 min, rt
1.2 5 min, rt
1.3 Reagents: Water ;  10 min, rt
Reference
Facile esterification of alcohols with 2-acyl-4,5-dichloropyridazin-3(2h)-ones under Friedel-Crafts conditions
Kim, Bo Ram; et al, Synlett, 2014, 25(13), 1909-1915

Production Method 19

Reaction Conditions
1.1 Catalysts: Aluminum triflate ;  5 min, rt
Reference
Al(OTf)3 as a highly efficient catalyst for the rapid acetylation of alcohols, phenols, and thiophenols under solvent-free conditions
Kamal, Ahmed; et al, Tetrahedron Letters, 2007, 48(22), 3813-3818

Production Method 20

Reaction Conditions
1.1 Reagents: Sodium nitrite Solvents: Acetic acid ,  Acetic anhydride ;  24 h, 0 °C → rt
Reference
Sodium nitrite
McCullough, Kevin J., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2016, 1, 1-11

Production Method 21

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water ;  10 h, 0.3 MPa, 140 °C; 140 °C → rt
1.2 30 min, rt → 80 °C
Reference
An improved synthesis of a β-blocker celiprolol hydrochloride
Ji, Li; et al, Journal of Chemical Research, 2011, 35(11), 640-643

Production Method 22

Reaction Conditions
1.1 Catalysts: Aluminum triflate ;  2 h, rt
Reference
Al(OTf)3 as a highly efficient catalyst for the rapid acetylation of alcohols, phenols, and thiophenols under solvent-free conditions
Kamal, Ahmed; et al, Tetrahedron Letters, 2007, 48(22), 3813-3818

Production Method 23

Reaction Conditions
1.1 Catalysts: Poly(vinylpyrrolidone) ,  Zirconium chloride (ZrCl4) Solvents: Chloroform ,  Hexane ;  1.67 h, reflux
Reference
Polyvinylpyrrolidone-supported zirconium nanoparticles: synthesis, characterization, efficiency as a new polymer nanocomposite catalyst for one-step transesterification reaction
Azadi, Sedigheh; et al, Monatshefte fuer Chemie, 2023, 154(2), 239-248

Production Method 24

Reaction Conditions
1.1 Reagents: Bismuth nitrate Catalysts: Dabco ;  3 min, heated
Reference
Solvent-free DABCO-catalyzed one-pot conversion of tetrahydropyranyl ethers into acetates by the action of bismuth(III) nitrate under microwave irradiation
Asadolah, K.; et al, Russian Journal of Organic Chemistry, 2009, 45(7), 1110-1111

Production Method 25

Reaction Conditions
1.1 Reagents: Diisopropylcarbodiimide ,  1-Hydroxybenzotriazole Solvents: Dimethylformamide ;  2 h, rt
1.2 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  12 h, rt
Reference
A Magnetic Biomimetic Nanocatalyst for Cleaving Phosphoester and Carboxylic Ester Bonds under Mild Conditions
Zheng, Yan; et al, Organic Letters, 2006, 8(15), 3215-3217

Production Method 26

Reaction Conditions
Reference
Water-soluble acylating agents: preparation of 2-acylthio-1-alkylpyridinium salts and acylation of phenols, acids, and (or) amines with these salts in an aqueous phase
Sakakibara, Tohru; et al, Bulletin of the Chemical Society of Japan, 1988, 61(1), 247-53

Production Method 27

Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: Tris(2,2′-bipyridyl)ruthenium(II) chloride Solvents: Acetonitrile ;  3 - 6 h, rt
1.2 Solvents: Water
Reference
Site-selective phenol acylation mediated by thioacids via visible light photoredox catalysis
Shi, Lili; et al, Organic Chemistry Frontiers, 2018, 5(8), 1312-1319

4-Nitrophenyl acetate Raw materials

4-Nitrophenyl acetate Preparation Products

Recommended suppliers
SunaTech Inc.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
SunaTech Inc.
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.