2-([(4-bromophenyl)sulfonyl]amino)-3-phenylpropanoic acid
Names
[ CAS No. ]:
37642-61-8
[ Name ]:
2-([(4-bromophenyl)sulfonyl]amino)-3-phenylpropanoic acid
[Synonym ]:
N-p-Bromphenyl-2-azaspiro<4.5>decan-1,3-dion
N-p-Bromphenyl-3-brompropionamid
N-p-Bromphenylsulfonyl-D,L-phenylalanin
N-p-Brombenzolsulfonyl-DL-phenylalanin
Chemical & Physical Properties
[ Density]:
1.568g/cm3
[ Boiling Point ]:
544.7ºC at 760 mmHg
[ Melting Point ]:
165-167ºC
[ Molecular Formula ]:
C15H14BrNO4S
[ Molecular Weight ]:
384.24500
[ Flash Point ]:
283.2ºC
[ Exact Mass ]:
382.98300
[ PSA ]:
91.85000
[ LogP ]:
3.89500
[ Index of Refraction ]:
1.63
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AY4251000
- CHEMICAL NAME :
- Alanine, N-(p-bromobenzenesulfonyl)-3-phenyl-, DL-
- CAS REGISTRY NUMBER :
- 37642-61-8
- LAST UPDATED :
- 199012
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C15-H14-Br-N-O4-S
- MOLECULAR WEIGHT :
- 384.27
- WISWESSER LINE NOTATION :
- QVY1R&MSWR DE -DL
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 385 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 15,1325,1972
Safety Information
[ Hazard Codes ]:
Xi
[ HS Code ]:
2935009090
Customs
[ HS Code ]: 2935009090
[ Summary ]:
2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%