Introduction：Basic information about CAS 1527-12-4|2-(Phenylsulfanyl)benzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-(Phenylsulfanyl)benzoic acid |
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| CAS Number | 1527-12-4 | Molecular Weight | 230.282 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 381.5±25.0 °C at 760 mmHg |
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| Molecular Formula | C13H10O2S | Melting Point | / |
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| MSDS | / | Flash Point | 184.5±23.2 °C |
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Names
| Name | 2-(phenylthio)benzoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 381.5±25.0 °C at 760 mmHg |
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| Molecular Formula | C13H10O2S |
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| Molecular Weight | 230.282 |
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| Flash Point | 184.5±23.2 °C |
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| Exact Mass | 230.040146 |
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| PSA | 62.60000 |
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| LogP | 4.33 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.674 |
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| InChIKey | PMLBXJKQYSENQH-UHFFFAOYSA-N |
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| SMILES | O=C(O)c1ccccc1Sc1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DH6475470
- CHEMICAL NAME :
- Benzoic acid, o-(phenylthio)-
- CAS REGISTRY NUMBER :
- 1527-12-4
- BEILSTEIN REFERENCE NO. :
- 2105456
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C13-H10-O2-S
- MOLECULAR WEIGHT :
- 230.29
- WISWESSER LINE NOTATION :
- QVR BSR
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
- 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: 19,798,1976
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Safety Information
Customs
| HS Code | 2930909090 |
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| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| Benzoic acid, 2-(phenylthio)- |
| 2-Phenylmercapto-benzoesaeure |
| 2-phenylsulfanylbenzoic acid |
| 2-(Phenylsulfanyl)benzoic acid |
| S-Phenyl-thiosalicylsaeure |
| 2-(PHENYLTHIO)BENZOIC ACID |
