Cas no 5333-27-7 (1-(4-Methyl-3-nitrophenyl)ethanone)

1-(4-Methyl-3-nitrophenyl)ethanone structure
5333-27-7 structure
Product Name:1-(4-Methyl-3-nitrophenyl)ethanone
CAS No:5333-27-7
MF:C9H9NO3
MW:179.172662496567
MDL:MFCD00033858
CID:45718
PubChem ID:79246
Update Time:2025-04-18

1-(4-Methyl-3-nitrophenyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 4'-Methyl-3'-nitroacetophenone
    • 4-Methyl-3-nitroacetophenone
    • 3'-nitro-4'-methylacetophenone
    • 1-(4-METHYL-3-NITROPHENYL)ETHANONE
    • 4′-Methyl-3′-nitroacetophenone
    • 3-Nitro-4-methyl acetophenone
    • Ethanone, 1-(4-methyl-3-nitrophenyl)-
    • 1-(4-methyl-3-nitrophenyl)ethan-1-one
    • Ethanone,1-(4-methyl-3-nitrophenyl)-
    • 1-acetyl-4-methyl-3-nitrobenzene
    • NSC617
    • PubChem3328
    • 3-nitro-4-methylacetophenon
    • KSC597M2H
    • YRBBMDOBWRUMEZ-UHFFFAOYSA-N
    • UNII-Q5YGX5BNW5
    • NSC-617
    • FT-0619030
    • AKOS000120211
    • A7765
    • SY109456
    • H11348
    • AS-14584
    • Z104479468
    • 4 inverted exclamation mark -Methyl-3 inverted exclamation mark -nitroacetophenone
    • AMY21814
    • 1-(4-methyl-3-nitro-phenyl)-ethanone
    • Q5YGX5BNW5
    • 1-(4-methyl-3-nitro-phenyl)ethanone
    • SCHEMBL571521
    • BP-10586
    • EN300-20649
    • CS-W017279
    • DTXSID9063790
    • MFCD00033858
    • 5333-27-7
    • NSC 617
    • 3-Nitro-4-methyl acetophenone; 4-Methyl-3-nitroacetophenone; 1-(4-Methyl-3-nitrophenyl)ethanone
    • 1-(4-Methyl-3-nitrophenyl)ethanone
    • MDL： MFCD00033858
    • Inchi： 1S/C9H9NO3/c1-6-3-4-8(7(2)11)5-9(6)10(12)13/h3-5H,1-2H3
    • InChI Key： YRBBMDOBWRUMEZ-UHFFFAOYSA-N
    • SMILES： O=C(C)C1C=CC(C)=C(C=1)[N+](=O)[O-]
    • BRN： 1953352

Computed Properties

  • Exact Mass: 179.05800
  • Monoisotopic Mass: 179.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 221
  • 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: 7
  • XLogP3: 2.1
  • Topological Polar Surface Area: 62.9

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.201
  • Melting Point: 56-60 oC
  • Boiling Point: 256.4 °C at 760 mmHg
  • Flash Point: 107.7 °C
  • Refractive Index: 1.552
  • PSA: 62.89000
  • LogP: 2.62900
  • Solubility: Not determined

1-(4-Methyl-3-nitrophenyl)ethanone Security Information

  • Hazard Category Code： R36/37/38
  • Safety Instruction： S37/39-S26
  • Hazardous Material Identification： Xi
  • TSCA：Yes
  • Risk Phrases：R36/37/38
  • Safety Term：S26;S37/39

1-(4-Methyl-3-nitrophenyl)ethanone Customs Data

  • HS CODE：2914700090
  • Customs Data：

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

1-(4-Methyl-3-nitrophenyl)ethanone Pricemore >>

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1-(4-Methyl-3-nitrophenyl)ethanone Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:5333-27-7)4-Methyl-3-nitroacetophenone
Order Number:sfd21514
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:39
Price ($):discuss personally

1-(4-Methyl-3-nitrophenyl)ethanone Related Literature

  • 1. Notes
    H. C. Cowen,F. Riding,E. Warhurst,A. D. Buckingham,R. J. W. Le Fèvre,G. D. Meakins,R. N. Haszeldine,J. Jander,G. R. Clemo,B. W. Fox,Richard Raper,J. F. W. McOmie,I. M. White,O. L. Brady,P. E. Halstead,A. G. Sharpe,G. W. Gray,Brynmor Jones,J. Cast,T. S. Stevens,F. Bell,J. W. Cook,Leon Hunter,R. M. Barrer,N. Mackenzie,D. MacLeod,C. C. Barker,F. D. Casson,G. F. Laws,W. Carruthers,E. S. Lane,C. Williams J. Chem. Soc. 1953 4168
  • 2. 197. The synthesis of some 5-alkyl-2-methylbenzoic acids
    E. P. Taylor,G. E. Watts J. Chem. Soc. 1952 1123
  • 3. Index of authors, 1953

Related Categories

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Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:5333-27-7)4-Methyl-3-nitroacetophenone
sfd21514
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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