Cas no 446-18-4 (4-Fluoro-2-methyl-5-nitroaniline)

4-Fluoro-2-methyl-5-nitroaniline structure
446-18-4 structure
Product Name:4-Fluoro-2-methyl-5-nitroaniline
CAS No:446-18-4
MF:C7H7FN2O2
MW:170.141084909439
MDL:MFCD18824947
CID:324893
PubChem ID:19035271
Update Time:2025-04-19

4-Fluoro-2-methyl-5-nitroaniline Chemical and Physical Properties

Names and Identifiers

    • Benzenamine,4-fluoro-2-methyl-5-nitro-
    • 4-fluoro-2-methyl-5-nitroaniline
    • o-Toluidine,4-fluoro-5-nitro- (7CI)
    • Benzenamine, 4-fluoro-2-methyl-5-nitro-
    • 2-amino-5-fluoro-4-nitrotoluene
    • LHIUCVZCVMTRNG-UHFFFAOYSA-N
    • EMOLECULES 43011691
    • FCH3495611
    • CM11471
    • AS05379
    • AK205040
    • 4-FLUORO-2-METHYL-5-NITRO-BENZENAMINE
    • CS-0083167
    • DTXSID30597594
    • SCHEMBL1521508
    • AKOS027254548
    • SY040947
    • DS-10392
    • MFCD18824947
    • 4-(THIOPHEN-3-YL)PHENOL97
    • 446-18-4
    • DB-099945
    • 4-Fluoro-2-methyl-5-nitroaniline
    • MDL: MFCD18824947
    • Inchi: 1S/C7H7FN2O2/c1-4-2-5(8)7(10(11)12)3-6(4)9/h2-3H,9H2,1H3
    • InChI Key: LHIUCVZCVMTRNG-UHFFFAOYSA-N
    • SMILES: FC1=CC(C)=C(C=C1[N+](=O)[O-])N

Computed Properties

  • Exact Mass: 170.04921
  • Monoisotopic Mass: 170.04915563g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 183
  • 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: 71.8

Experimental Properties

  • Density: 1.371±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 96-97 oC
  • Boiling Point: 344.0±37.0℃ at 760 mmHg
  • Solubility: Very slightly soluble (0.46 g/l) (25 o C),
  • PSA: 69.16

4-Fluoro-2-methyl-5-nitroaniline Pricemore >>

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TRC
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TRC
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$ 70.00 2022-06-05
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$ 250.00 2022-06-05
Alichem
A010007331-250mg
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$494.40 2023-09-01
Alichem
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4-Fluoro-2-methyl-5-nitroaniline Related Literature

  • 1. Carbon–carbon formation at di-iron centres. Part 2. Reactivity of [Fe2(CO)6(μ-COEt){μ-C(R)C(R)H}] complexes toward MeOC(O)CCC(O)OMe (R = Ph) and CF3CCCF3(R = Ph or H); X-ray crystal structures of [Fe2(CO)5{μ-C(OEt)C[C(O)OMe]C[C(O)OMe]}{μ-C(Ph)C(Ph)H}]·H2O and [Fe2(CO)6{μ-C(CF3)C(CF3)CHCHCH(OMe)}]
    Josep Ros,Gérard Commenges,René Mathieu,Xavier Solans,Manuel Font-Altaba J. Chem. Soc. Dalton Trans. 1985 1087
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