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

  • Ethyl 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-4-carboxylate
  • n-Acetyl-2,3,4-trifluoro-l-phenylalanine
  • 7-hydroxy-1H,2H,3H,5H-imidazolidino[1,2-a]pyrimidin-5-one
  • 2-Chloro-6-hydroxybenzene-1-carboximidamide hydrochloride
  • 4-Chloro-2-hydroxybenzene-1-carboximidamide hydrochloride
  • N-(4-Chlorophenyl)-N-(cyanomethyl)-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide
  • 3,4,4a,5,6,7,8,8a-Octahydro-1H-isochromen-6-ylmethanamine;hydrochloride
  • 7-methyl-1H,2H,3H-pyrazolo[1,5-a]imidazole
  • 5-Oxa-2,4,8-triazadec-2-enoic acid, 10-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxo-1(2H)-pyrazinyl]-3-[[(1,1-dimethylethoxy)carbonyl]amino]-9-oxo-, 1,1-dimethylethyl ester
  • N-[3-[Methyl(prop-2-ynyl)amino]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
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