![(Benzo[b]thiophen-3-yl)aceticacid structure, CAS 1131-09-5](/structures/80000/76638_1_1131_09_5.png)
CAS Number1131-09-5
Synonyms1-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
Molecular FormulaC18H16N2OS
Molecular Weight308.405
Density1.4±0.1 g/cm3
Boiling Point378.7±17.0 °C at 760 mmHg
Melting Point82 °C
Appearancesolid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1131-09-5 |
| Catalog No. | 2A-9076638 |
| Chinese Name | 苯并[b]噻吩-3-乙酸 |
| 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 |
| Molecular Formula | C18H16N2OS |
| Molecular Weight | 308.405 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 378.7±17.0 °C at 760 mmHg |
| Melting Point | 82 °C |
| Appearance | solid |
| Storage Condition | Keep the container sealed and stored in a cool, dr |
| HTC | 2934999090 |
| PubChem ID | 81833 |
| MDL Number | MFCD00705018 |
| SMILES | O=C(O)Cc1csc2ccccc12 |
| InChI | InChI=1S/C10H8O2S/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12) |
| InChI Key | VFZQJKXVHYZXMM-UHFFFAOYSA-N |
| MSDS | msds/76638_1_1131_09_5.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage:Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point:No data Flash point:No data Molecular formula:C10H8O2S Molecular weight:192.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, sulfur oxides. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Acetic acid, 3-benzo(b)thienyl- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C10-H8-O2-S MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T56 BSJ D1VQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 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 : 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 Safety Information Hazard Codes Xi: Irritant; RTECS AF4800000 HS Code 2934999090 Synthetic Route Benzo[b]thiophe... CAS#:3216-48-6 1-Benzothiophen... CAS#:1131-09-5 Literature: Journal of the American Chemical Society, , vol. 70, p. 3768,3769 Journal of the American Chemical Society, , vol. 71, p. 2856,2857 3-(chloromethyl... CAS#:3216-47-5 1-Benzothiophen... CAS#:1131-09-5 Literature: Journal of the American Chemical Society, , vol. 70, p. 3768,3769 Journal of the American Chemical Society, , vol. 71, p. 2856,2857 Benzo[b]thiophe... CAS#:130-03-0 1-Benzothiophen... CAS#:1131-09-5 Literature: Chemistry of Heterocyclic Compounds, , vol. 39, # 4 p. 539 - 540 Precursor & DownStream Precursor 8 CAS#:3216-48-6 Benzo[b]thiophe... CAS#:3216-47-5 3-(chloromethyl... CAS#:95-15-8 Thianaphthene CAS#:130-03-0 Benzo[b]thiophe... DownStream 6 CAS#:4593-90-2 3-Phenylbutyric acid CAS#:3133-87-7 2-(1-Benzothiop... CAS#:1505-58-4 Benzo[b]thiophe... CAS#:1246072-89-8 2-(2-(benzo[b]t... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: 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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