![1,2,3,4-Tetrahydro-benzo[b]azepin-5-one structure, CAS 1127-74-8](/structures/40000/26267_2_1127_74_8.png)
CAS Number1127-74-8
SynonymsMFCD03426404; 1,2,3,4-Tetrahydro-5H-1-benzazepin-5-one; 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one; 1,2,3,4-Tetrahydrobenzazepine-5-one; 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one; 1,2,3,4-tetrahydro-1-benzazepin-5-one
Molecular FormulaC10H11NO
Molecular Weight161.2
Purity98.00%
Density1.1±0.1 g/cm3
Boiling Point314.6±12.0 °C at 760 mmHg
Melting Point87-88°C
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1127-74-8 |
| Catalog No. | 2A-9026267 |
| Chinese Name | 1,2,3,4-四氢-苯并[b]氮杂卓-5-酮 |
| Synonyms | MFCD03426404; 1,2,3,4-Tetrahydro-5H-1-benzazepin-5-one; 1,2,3,4-Tetrahydrobenzo[b]azepin-5-one; 1,2,3,4-Tetrahydrobenzazepine-5-one; 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one; 1,2,3,4-tetrahydro-1-benzazepin-5-one |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.2 |
| Purity | 98.00 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 314.6±12.0 °C at 760 mmHg |
| Melting Point | 87-88°C |
| Storage Condition | 2-8°C |
| HTC | 2933990090 |
| PubChem ID | 438488 |
| SMILES | O=C1CCCNc2ccccc21 |
| InChI | InChI=1S/C10H11NO/c12-10-6-3-7-11-9-5-2-1-4-8(9)10/h1-2,4-5,11H,3,6-7H2 |
| InChI Key | NKRKBYFBKLDCFB-UHFFFAOYSA-N |
| Use of | health and chemical hazard data given on this sheet. 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: Flash point:No data Molecular formula:C10H11NO Molecular weight:161.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. 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 Hazard Codes Xi Safety Phrases S26-S36 WGK Germany 3 RTECS ZE3900000 HS Code 2933990090 Synthetic Route Total: 1 Page 1-(Toluene-4-su... CAS#:24310-36-9 1,2,3,4-Tetrahy... CAS#:1127-74-8 1-[(4-Methylphe... CAS#:68595-19-7 1,2,3,4-Tetrahy... CAS#:1127-74-8 Literature: Tsunoda, Takashi; Yamazaki, Atsuki; Iwamoto, Hidenori; Sakamoto, Shuichi Organic Process Research and Development, 2003 , vol. 7, # 6 p. 883 - 887 Phenylpyrrolidone CAS#:4641-57-0 1-Phenylpyrrole CAS#:635-90-5 1,2,3,4-Tetrahy... CAS#:1127-74-8 Literature: Heterocycles, , vol. 36, # 4 p. 743 - 749 Precursor & DownStream Precursor 3 CAS#:24310-36-9 1-(Toluene-4-su... CAS#:68595-19-7 1-[(4-Methylphe... CAS#:4641-57-0 Phenylpyrrolidone DownStream 7 CAS#:1701-57-1 2,3,4,5-Tetrahy... CAS#:137976-09-1 1-(4-aminobenzo... CAS#:24310-36-9 1-(Toluene-4-su... CAS#:1206-74-2 1-Acetyl-1,2,3,... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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