Benzoic acid, 4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4H)- quinazolinyl)-, 1-ethyl ester

Modify Date: 2024-07-21 12:28:21

Benzoic acid, 4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4H)- quinazolinyl)-, 1-ethyl ester structure	Common Name	Benzoic acid, 4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4H)- quinazolinyl)-, 1-ethyl ester
	CAS Number	155104-15-7	Molecular Weight	491.35500
	Density	1.52g/cm3	Boiling Point	663.2ºC at 760mmHg
	Molecular Formula	C₂₁H₁₉BrN₂O₅S	Melting Point	N/A
	MSDS	N/A	Flash Point	354.9ºC

Name	2-[[6-bromo-3-(4-ethoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid
Synonym	More Synonyms

Density	1.52g/cm3
Boiling Point	663.2ºC at 760mmHg
Molecular Formula	C₂₁H₁₉BrN₂O₅S
Molecular Weight	491.35500
Flash Point	354.9ºC
Exact Mass	490.02000
PSA	123.79000
LogP	4.03120
Vapour Pressure	1.72E-18mmHg at 25°C
Index of Refraction	1.658

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DG4448442

CHEMICAL NAME :: Benzoic acid, 4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4 H)-quinazolinyl)-, 1-ethyl ester

CAS REGISTRY NUMBER :: 155104-15-7

LAST UPDATED :: 199603

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C21-H19-Br-N2-O5-S

MOLECULAR WEIGHT :: 491.39

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 300 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 33,260,1994

Benzoic acid,4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-,1-ethyl ester