3-Carbamido-5-chloromethyl-7-phenylisoxazolo(4,5-d)pyrimidine

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Names

[ 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

Synthetic Route

Click to get detail synthetic route

Related Compounds

(2',4'-Dichloro-2-fluoro-biphenyl-4-yl)-methanol
(2-(Carboxymethyl)phenyl)propanenitrile
(2,3-Bis(trifluoromethoxy)phenyl)propanal
(2',6'-Dichloro-2,3,5,6-tetrafluoro-biphenyl-4-yl)-methanol
(3',5'-Dichloro-6-fluoro-biphenyl-3-yl)-methanol
(3',4'-Dichloro-5-fluoro-biphenyl-3-yl)-methanol
(3-Fluoro-4'-(trifluoromethoxy)biphenyl-4-yl)-dimethylamine
(3-(Carboxymethyl)phenyl)propanenitrile
2-[3-Fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
(6-Fluoro-4'-(trifluoromethoxy)biphenyl-3-yl)-hydroxyacetic acid