Introduction：Basic information about CAS 1131-09-5|1-Benzothiophen-3-ylacetic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-Benzothiophen-3-ylacetic acid |
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| CAS Number | 1131-09-5 | Molecular Weight | 192.234 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 378.7±17.0 °C at 760 mmHg |
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| Molecular Formula | C10H8O2S | Melting Point | 82 °C |
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| MSDS | USA | Flash Point | 182.9±20.9 °C |
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Names
| Name | 2-(1-benzothiophen-3-yl)acetic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 378.7±17.0 °C at 760 mmHg |
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| Melting Point | 82 °C |
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| Molecular Formula | C10H8O2S |
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| Molecular Weight | 192.234 |
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| Flash Point | 182.9±20.9 °C |
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| Exact Mass | 192.024506 |
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| PSA | 65.54000 |
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| LogP | 3.67 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.688 |
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| InChIKey | VFZQJKXVHYZXMM-UHFFFAOYSA-N |
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| SMILES | O=C(O)Cc1csc2ccccc12 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AF4800000
- CHEMICAL NAME :
- Acetic acid, 3-benzo(b)thienyl-
- CAS REGISTRY NUMBER :
- 1131-09-5
- BEILSTEIN REFERENCE NO. :
- 0143357
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C10-H8-O2-S
- MOLECULAR WEIGHT :
- 192.24
- WISWESSER LINE NOTATION :
- T56 BSJ D1VQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1500 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: 8,598,1965
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 400 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
| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R22;R36/37/38 |
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| Safety Phrases | S26-S36/37/39 |
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| RTECS | AF4800000 |
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| HS Code | 2934999090 |
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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
| 1-Benzothiophen-3-ylacetic acid |
| EINECS 214-461-2 |
| Acetic acid,3-benzo(b)thienyl |
| MFCD00051637 |
| 2-(benzo[b]thiophen-3-yl)acetic acid |
| Benzothiophene-3-acetic acid |
| 1-benzothiophen-3-yl-acetic acid |
| Benzo[b]thiophene-3-acetic acid |
| 3-benzo[b]thienylacetic acid |
| 3-Benzo(b)thiopheneacetic acid |
| (Benzo[b]thiophen-3-yl)acetic acid |
| <1>benzothien-3-ylacetic acid |
