Cas no 67192-42-1 (3-METHYL-4-NITROBENZOTRIFLUORIDE)

3-METHYL-4-NITROBENZOTRIFLUORIDE structure
67192-42-1 structure
Product Name:3-METHYL-4-NITROBENZOTRIFLUORIDE
CAS No:67192-42-1
MF:C8H6F3NO2
MW:205.133952617645
MDL:MFCD00042323
CID:521162
PubChem ID:144223
Update Time:2025-04-19

3-METHYL-4-NITROBENZOTRIFLUORIDE Chemical and Physical Properties

Names and Identifiers

    • 2-METHYL-1-NITRO-4-(TRIFLUOROMETHYL)BENZENE
    • 3-Methyl-4-nitrobenzotrifluoride
    • 3-METHYL-4-NITROBENZOTRIFLUOROIDE
    • Benzene,2-methyl-1-nitro-4-(trifluoromethyl)-
    • EN300-178583
    • Benzene, 2-methyl-1-nitro-4-(trifluoromethyl)-
    • 4-(Trifluoromethyl)-2-methyl-1-nitrobenzene
    • MFCD00042323
    • A21482
    • AKOS005256516
    • PCCXJSOGGOWRJC-UHFFFAOYSA-N
    • AM82889
    • SCHEMBL3778792
    • CS-0454789
    • F0001-1777
    • CL9285
    • 2-nitro-5-trifluoromethyltoluene
    • DTXSID50217449
    • 67192-42-1
    • AS-46279
    • FT-0605548
    • FT-0650611
    • 3-Methyl-4-nitrobenzotrifluoride, AldrichCPR
    • BBL100967
    • STL554761
    • 3-METHYL-4-NITROBENZOTRIFLUORIDE
    • MDL： MFCD00042323
    • Inchi： 1S/C8H6F3NO2/c1-5-4-6(8(9,10)11)2-3-7(5)12(13)14/h2-4H,1H3
    • InChI Key： PCCXJSOGGOWRJC-UHFFFAOYSA-N
    • SMILES： FC(C1=CC=C(C(C)=C1)[N+](=O)[O-])(F)F

Computed Properties

  • Exact Mass: 205.03500
  • Monoisotopic Mass: 205.03506292g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 224
  • 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
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • Boiling Point: 90°C 10mm
  • PSA: 45.82000
  • LogP: 3.44520

3-METHYL-4-NITROBENZOTRIFLUORIDE Security Information

3-METHYL-4-NITROBENZOTRIFLUORIDE Customs Data

  • HS CODE：2904909090
  • Customs Data：

    China Customs Code:

    2904909090

    Overview:

    2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). 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

    Summary:

    HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

3-METHYL-4-NITROBENZOTRIFLUORIDE Pricemore >>

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3-METHYL-4-NITROBENZOTRIFLUORIDE Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Disodium sulfide ,  Sulfur ,  Ammonium chloride Solvents: Methanol ,  Water
1.2 Reagents: Hydrochloric acid
2.1 Reagents: Sodium nitrate ,  Sulfuric acid Catalysts: Bronze Solvents: Ethanol ,  Dichloromethane ,  Water
3.1 Reagents: Nitric acid Solvents: Water
Reference
A unique application of the sulfide reduction useful for the preparation of isomerically pure aromatic nitro compounds and anilines
Nickson, Thomas E., Journal of Organic Chemistry, 1986, 51(20), 3903-4

Production Method 2

Reaction Conditions
1.1 Reagents: Guanidine nitrate ,  Sulfuric acid ;  -10 °C; -10 °C → rt; overnight, rt
1.2 Reagents: Water ;  cooled
Reference
An 'Ortho Effect' in Electrophilic Aromatic Nitrations: Theoretical Analysis and Experimental Validation
Li, Hui-Jing; et al, Journal of the Chinese Chemical Society (Weinheim, 2014, 61(12), 1307-1312

Production Method 3

Reaction Conditions
1.1 Reagents: Nitric acid Solvents: Water
Reference
A unique application of the sulfide reduction useful for the preparation of isomerically pure aromatic nitro compounds and anilines
Nickson, Thomas E., Journal of Organic Chemistry, 1986, 51(20), 3903-4

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium nitrate ,  Sulfuric acid Catalysts: Bronze Solvents: Ethanol ,  Dichloromethane ,  Water
2.1 Reagents: Nitric acid Solvents: Water
Reference
A unique application of the sulfide reduction useful for the preparation of isomerically pure aromatic nitro compounds and anilines
Nickson, Thomas E., Journal of Organic Chemistry, 1986, 51(20), 3903-4

3-METHYL-4-NITROBENZOTRIFLUORIDE Raw materials

3-METHYL-4-NITROBENZOTRIFLUORIDE Preparation Products

3-METHYL-4-NITROBENZOTRIFLUORIDE Related Literature

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