3-Carbamido-5-chloromethyl-7-phenylisoxazolo(4,5-d)pyrimidine
Names
[ CAS No. ]:
165611-01-8
[ Name ]:
3-Carbamido-5-chloromethyl-7-phenylisoxazolo(4,5-d)pyrimidine
[Synonym ]:
3-Carbamido-5-chloromethyl-7-phenylisoxazolo(4,5-d)pyrimidine
5-chloromethyl-7-phenyl-isoxazolo[4,5-d]pyrimidine-3-carboxamide
Isoxazolo(4,5-d)pyrimidine-3-carboxamide,5-(chloromethyl)-7-phenyl
Chemical & Physical Properties
[ Density]:
1.46g/cm3
[ Boiling Point ]:
485.7ºC at 760mmHg
[ Molecular Formula ]:
C13H9ClN4O2
[ Molecular Weight ]:
288.68900
[ Flash Point ]:
247.6ºC
[ Exact Mass ]:
288.04100
[ PSA ]:
95.89000
[ LogP ]:
3.00670
[ Vapour Pressure ]:
1.38E-09mmHg at 25°C
[ Index of Refraction ]:
1.671
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NY3400892
- CHEMICAL NAME :
- Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl-
- CAS REGISTRY NUMBER :
- 165611-01-8
- LAST UPDATED :
- 199606
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H9-Cl-N4-O2
- MOLECULAR WEIGHT :
- 288.71
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 :
- >2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRMCE8 Farmaco. (Societa Chimica Italiana, Corso Strada Nova, 86, Casella Postale 227, 27100 Pavia, Italy) V.44- 1989- Volume(issue)/page/year: 50,183,1995