![2-Amino-4,5,6,7-tetrahydro-7-oxobenzo[b]thiophene-3-carbonitrile structure, CAS 98899-30-0](/structures/60000/49559_1_98899_30_0.png)
CAS Number98899-30-0
Synonyms2-amino-3-cyano-7-oxocyclohexeno[b]thiophene; 2-Amino-4,5,6,7-tetrahydro-7-oxobenzo[b]thiophene-3-carbonitrile; Benzo[b]thiophene-3-carbonitrile,2-amino-4,5,6,7-tetrahydro-7-oxo; 2-Amino-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Molecular FormulaC9H8O1N2S1
Molecular Weight192.24
Purity98.00%
Density1.4
Boiling Point473.562ºC at 760 mmHg
Melting Point212-215ºC
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 98899-30-0 |
| Catalog No. | 2A-9049559 |
| Chinese Name | 2-氨基-4,5,6,7-四氢-7-氧代苯并[B]噻吩-3-甲腈 |
| Synonyms | 2-amino-3-cyano-7-oxocyclohexeno[b]thiophene; 2-Amino-4,5,6,7-tetrahydro-7-oxobenzo[b]thiophene-3-carbonitrile; Benzo[b]thiophene-3-carbonitrile,2-amino-4,5,6,7-tetrahydro-7-oxo; 2-Amino-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile |
| Molecular Formula | C9H8O1N2S1 |
| Molecular Weight | 192.24 |
| Purity | 98.00 |
| Density | 1.4 |
| Boiling Point | 473.562ºC at 760 mmHg |
| Melting Point | 212-215ºC |
| HTC | 2934999090 |
| PubChem ID | 41391722 |
| MDL Number | MFCD01858636 |
| SMILES | N#Cc1c(N)sc2c1CCCC2=O |
| InChI | InChI=1S/C9H8N2OS/c10-4-6-5-2-1-3-7(12)8(5)13-9(6)11/h1-3,11H2 |
| InChI Key | XMZNDMVUUNFZEB-UHFFFAOYSA-N |
| MSDS | msds/49559_1_98899_30_0.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage:Store in closed vessels, refrigerated. 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: C9H8N2OS 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, nitrogen oxides, 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 Safety Information HS Code 2934999090 Synthetic Route Total: 1 Page 1,3-Cyclohexanedione CAS#:504-02-9 Malononitrile CAS#:109-77-3 2-AMINO-4,5,6,7... CAS#:98899-30-0 Literature: Mohareb, Rafat M.; Sherif, Sherif M.; Moustafa, Hosam El-Dean Phosphorus, Sulfur and Silicon and the Related Elements, 2009 , vol. 184, # 8 p. 2078 - 2096 Precursor & DownStream Precursor 2 CAS#:504-02-9 1,3-Cyclohexanedione CAS#:109-77-3 Malononitrile DownStream 0 |
| 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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