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

  • 4-(3,3-Dimethylcyclopentyl)butan-2-one
  • rac-(3R,5R)-5-phenyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylic acid
  • 3-(4-Methylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
  • benzyl N-methyl-N-(4-methyl-3-nitropyridin-2-yl)carbamate
  • benzyl N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]carbamate
  • benzyl N-[2-bromo-2-(oxan-4-ylidene)ethyl]carbamate
  • benzyl N-[(1R)-1-(5-bromothiophen-3-yl)ethyl]carbamate
  • 4-(2-Methylphenyl)bicyclo[2.1.1]hexan-2-one
  • benzyl N-[(2-bromothiophen-3-yl)methyl]-N-methylcarbamate
  • 1-[1-propyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethan-1-one
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