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

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Names

[ CAS No. ]:
155104-15-7

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

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

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

Related Compounds

  • 4-Bromo-3-fluorophenyl 4-methylbenzene-1-sulfonate
  • tert-butyl N-[(2R)-1-(3-hydroxy-3-methylazetidin-1-yl)propan-2-yl]carbamate
  • 2-chloro-N-(1-cyanoethyl)-N-cyclohexylacetamide
  • 5-(2-Azidoethyl)-1,3-dimethoxy-2-methylbenzene
  • (3R)-3-hydroxy-3-(2-methanesulfonylphenyl)propanoic acid
  • 2-[(2-Methanesulfonylphenyl)methyl]oxirane
  • 3-Fluoro-4-methylphenyl 4-methylbenzene-1-sulfonate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-{[3-(dimethylsulfamoyl)phenyl]formamido}acetate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-{[(2,6-dichlorophenyl)sulfanyl]methyl}benzoate
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