Introduction：Basic information about CAS 37642-61-8|2-([(4-bromophenyl)sulfonyl]amino)-3-phenylpropanoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-([(4-bromophenyl)sulfonyl]amino)-3-phenylpropanoic acid |
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| CAS Number | 37642-61-8 | Molecular Weight | 384.24500 |
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| Density | 1.568g/cm3 | Boiling Point | 544.7ºC at 760 mmHg |
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| Molecular Formula | C15H14BrNO4S | Melting Point | 165-167ºC |
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| MSDS | / | Flash Point | 283.2ºC |
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Names
| Name | 2-([(4-bromophenyl)sulfonyl]amino)-3-phenylpropanoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.568g/cm3 |
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| Boiling Point | 544.7ºC at 760 mmHg |
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| Melting Point | 165-167ºC |
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| Molecular Formula | C15H14BrNO4S |
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| Molecular Weight | 384.24500 |
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| Flash Point | 283.2ºC |
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| Exact Mass | 382.98300 |
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| PSA | 91.85000 |
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| LogP | 3.89500 |
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| Index of Refraction | 1.63 |
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| InChIKey | YYNNRJWNBXEQTP-UHFFFAOYSA-N |
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| SMILES | O=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 |
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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 DATAACUTE 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
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2935009090 |
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Customs
| HS Code | 2935009090 |
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| Summary | 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0% |
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Synonyms
| 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 |
