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

Modify Date: 2025-10-18 16:55:08

3-Carbamido-5-chloromethyl-7-phenylisoxazolo(4,5-d)pyrimidine structure	Common Name	3-Carbamido-5-chloromethyl-7-phenylisoxazolo(4,5-d)pyrimidine
	CAS Number	165611-01-8	Molecular Weight	288.68900
	Density	1.46g/cm3	Boiling Point	485.7ºC at 760mmHg
	Molecular Formula	C₁₃H₉ClN₄O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	247.6ºC

Name	5-(chloromethyl)-7-phenyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide
Synonym	More Synonyms

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

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

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~82%

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

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CAS#:165611-01-8

Literature: Wagner, Edwin; Al-Kadasi, Kamal; Becan, Lilianna; Sawka-Dobrowolska, Wanda Journal of Heterocyclic Chemistry, 2010 , vol. 47, # 3 p. 677 - 682

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

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