Introduction：Basic information about CAS 135-13-7|2-(carboxymethylthio)benzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-(carboxymethylthio)benzoic acid |
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| CAS Number | 135-13-7 | Molecular Weight | 212.22200 |
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| Density | 1.49 g/cm3 | Boiling Point | 423ºC at 760 mmHg |
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| Molecular Formula | C9H8O4S | Melting Point | 208 °C |
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| MSDS | / | Flash Point | 209.6ºC |
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Names
| Name | 2-(carboxymethylsulfanyl)benzoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.49 g/cm3 |
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| Boiling Point | 423ºC at 760 mmHg |
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| Melting Point | 208 °C |
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| Molecular Formula | C9H8O4S |
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| Molecular Weight | 212.22200 |
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| Flash Point | 209.6ºC |
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| Exact Mass | 212.01400 |
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| PSA | 99.90000 |
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| LogP | 1.56150 |
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| Vapour Pressure | 6.55E-08mmHg at 25°C |
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| InChIKey | GMBZSYUPMWCDGK-UHFFFAOYSA-N |
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| SMILES | O=C(O)CSc1ccccc1C(=O)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DG4975500
- CHEMICAL NAME :
- Benzoic acid, (2-carboxymethylthio)-
- CAS REGISTRY NUMBER :
- 135-13-7
- BEILSTEIN REFERENCE NO. :
- 2109941
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C9-H8-O4-S
- MOLECULAR WEIGHT :
- 212.23
- WISWESSER LINE NOTATION :
- QV1SR BVQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00457
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Safety Information
| Hazard Codes | T |
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| Safety Phrases | S22-S24/25 |
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| RTECS | DG4975500 |
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| HS Code | 2930909090 |
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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
| EINECS 205-178-5 |
| 2-Carboxymethylmercapto-benzoesaeure |
| Acetic acid,(2-carboxyphenyl)thio |
| 2-Carboxyphenylthioglycolic acid |
| 2-<(carboxymethyl)thio>benzoic acid |
| o-Carboxyphenylthioglycollic acid |
| (o-Carboxyphenylthio)acetic acid |
| 2-(Carboxymethylthio)benzoic acid |
| 2-(3-FLUOROPHENYL)ACETOPHENONE |
| 2-(carbomethylthio)benzoic acid |
| MFCD00021761 |
| 2-carboxymethylsulfanyl-benzoic acid |
| (S-Phenyl-thioglykolsaeure)-o-carbonsaeure |
