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
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

 Names

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

 Chemical & Physical Properties

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

 Toxicological Information

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

 Synonyms

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