Cas no 313-12-2 (2-Amino-3-(trifluoromethyl)benzoic acid)

2-Amino-3-(trifluoromethyl)benzoic acid structure
313-12-2 structure
Product Name:2-Amino-3-(trifluoromethyl)benzoic acid
CAS No:313-12-2
MF:C8H6F3NO2
MW:205.133952617645
MDL:MFCD00274210
CID:36796
PubChem ID:24866970
Update Time:2025-04-18

2-Amino-3-(trifluoromethyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Amino-3-(trifluoromethyl)benzoic acid
    • 3-TRIFLUOROMETHYLANTHRANILIC ACID
    • 2-amino-3-trifluoromethyl-benzoic acid
    • 3-trifluoromethyl-2-aminobenzoic acid
    • 3-(Trifluoromethyl)anthranilic acid
    • 2-Amino-3-(trifluoromethyl)benzoic acid #
    • 2-Amino-3-(trifluoromethyl)benzoic acid, 98% dry basis
    • AC-3893
    • Z362758742
    • EN300-65904
    • InChI=1/C8H6F3NO2/c9-8(10,11)5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14
    • MFCD00274210
    • J-507761
    • 2-Amino-3-(Trifluoromethyl)BenzoicAcid
    • 2-amino-3-trifluoromethylbenzoic acid
    • SB78500
    • AKOS005064001
    • Benzoic acid, 2-amino-3-(trifluoromethyl)-
    • 2-amino-trifluoromethyl benzoic acid
    • CS-W009069
    • 2-amino-3-(trifluoromethyl)-benzoic acid
    • 313-12-2
    • 2-Amino-3-trifluoromethyl benzoic acid
    • A5670
    • PS-8107
    • SCHEMBL158167
    • FT-0631935
    • Benzoic acid, 2-amino-3-trifluoromethyl-
    • AM20050571
    • DTXSID10345454
    • DB-008340
    • DTXCID00296527
    • 625-821-7
    • MDL： MFCD00274210
    • Inchi： 1S/C8H6F3NO2/c9-8(10,11)5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14)
    • InChI Key： UNLVJVQEDSDPIN-UHFFFAOYSA-N
    • SMILES： FC(C1C=CC=C(C(=O)O)C=1N)(F)F

Computed Properties

  • Exact Mass: 205.03500
  • Monoisotopic Mass: 204.027238
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 229
  • 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: 4
  • XLogP3: 2.2
  • Topological Polar Surface Area: 66.2
  • Molecular Weight: 205.13

Experimental Properties

  • Color/Form: Not available
  • Density: 1.489
  • Melting Point: 157-160?°C (lit.)
  • Boiling Point: 296.9°Cat760mmHg
  • Flash Point: 133.3°C
  • Refractive Index: 1.533
  • PSA: 63.32000
  • LogP: 2.56700
  • Solubility: Not available

2-Amino-3-(trifluoromethyl)benzoic acid Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H315-H319-H335
  • Warning Statement： P261-P305 + P351 + P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26-S36
  • Hazardous Material Identification： Xi
  • Risk Phrases：R36/37/38
  • Safety Term：S26;S36

2-Amino-3-(trifluoromethyl)benzoic acid Pricemore >>

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2-Amino-3-(trifluoromethyl)benzoic acid Related Literature

  • 1. Unusual behaviour of the thioether function of the ligand 1,8-bis(3,5-dimethyl-1-pyrazolyl)-3,6-dithiaoctane (bddo) towards transition-metal salts. X-Ray structures of a green and a red modification of [Cu(bddo)Cl2]
    Willem G. Haanstra,Wilfred A. J. W. van der Donk,Willem L. Driessen,Jan Reedijk,John S. Wood,Michael G. B. Drew J. Chem. Soc. Dalton Trans. 1990 3123
  • 2. 1129. Electron impact and molecular dissociation. Part IX. The mass spectra of some malonic acids and furan compounds
    R. I. Reed,W. K. Reid J. Chem. Soc. 1963 5933
  • 3. 1129. Electron impact and molecular dissociation. Part IX. The mass spectra of some malonic acids and furan compounds
    R. I. Reed,W. K. Reid J. Chem. Soc. 1963 5933
  • 4. 1129. Electron impact and molecular dissociation. Part IX. The mass spectra of some malonic acids and furan compounds
    R. I. Reed,W. K. Reid J. Chem. Soc. 1963 5933

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