4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid

Names

[ CAS No. ]:
6454-66-6

[ Name ]:
4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid

[Synonym ]:
4-(3-Trifluoromethylanilino)pyrimidine-5-carboxylic acid

Chemical & Physical Properties

[ Density]:
1.506g/cm3

[ Boiling Point ]:
407.6ºC at 760 mmHg

[ Molecular Formula ]:
C12H8F3N3O2

[ Molecular Weight ]:
283.20600

[ Flash Point ]:
200.3ºC

[ Exact Mass ]:
283.05700

[ PSA ]:
75.11000

[ LogP ]:
3.01020

[ Index of Refraction ]:
1.593

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV7885000
CHEMICAL NAME :
5-Pyrimidinecarboxylic acid, 4-(alpha,alpha,alpha-trifluoro-m-toluidino)-
CAS REGISTRY NUMBER :
6454-66-6
BEILSTEIN REFERENCE NO. :
0553152
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H8-F3-N3-O2
MOLECULAR WEIGHT :
283.23

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1782 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 10,954,1967

Related Compounds

  • 2-(3-Chloro-phenoxy)-2-phenyl-ethylamine
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (2-Isopropylpyrimidin-4-yl)methanamine dihydrochloride
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 2-Fluoro-5-vinylpyridine hydrochloride
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde