Introduction：Basic information about CAS 1735-12-2|(5-Methyl-benzo(b)thiophen-3-yl)acetic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (5-Methyl-benzo(b)thiophen-3-yl)acetic acid |
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| CAS Number | 1735-12-2 | Molecular Weight | 206.26100 |
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| Density | 1.315g/cm3 | Boiling Point | 390.8ºC at 760mmHg |
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| Molecular Formula | C11H10O2S | Melting Point | / |
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| MSDS | / | Flash Point | 190.2ºC |
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Names
| Name | 2-(5-methyl-1-benzothiophen-3-yl)acetic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.315g/cm3 |
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| Boiling Point | 390.8ºC at 760mmHg |
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| Molecular Formula | C11H10O2S |
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| Molecular Weight | 206.26100 |
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| Flash Point | 190.2ºC |
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| Exact Mass | 206.04000 |
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| PSA | 65.54000 |
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| LogP | 2.83680 |
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| Vapour Pressure | 8.28E-07mmHg at 25°C |
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| Index of Refraction | 1.668 |
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| InChIKey | KYZMXUFJGWTSOX-UHFFFAOYSA-N |
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| SMILES | Cc1ccc2scc(CC(=O)O)c2c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DL8898000
- CHEMICAL NAME :
- Benzo(b)thiophene-3-acetic acid, 5-methyl-
- CAS REGISTRY NUMBER :
- 1735-12-2
- BEILSTEIN REFERENCE NO. :
- 1243408
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C11-H10-O2-S
- MOLECULAR WEIGHT :
- 206.27
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JSOOAX Journal of the Chemical Society, Section C: Organic. (London, UK) No.1-24, 1966-71. For publisher information, see JCPRB4. Volume(issue)/page/year: (12),1612,1969
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Safety Information
Customs
| HS Code | 2934999090 |
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| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 5-Methyl-benzo<b><3>thienylessigsaeure |
| Fragment 7 |
| 5-Methyl-benzo<b>thiophen-3-yl-essigsaeure |
