Basic information
- CAS
1260774-29-5- Standard SMILES
O=C1NCCCc2c(Br)cccc21- InChIKey
PQALDHKLTCQGDF-UHFFFAOYSA-N- Molecular formula
- C10H10BrNO
- Average molar mass
- 240.1 g/mol
Names & identifiers
- Preferred name
- 6-bromo-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one
- IUPAC
- 6-bromo-2,3,4,5-tetrahydro-2-benzazepin-1-one
- English name
- 6-Bromo-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one
- Molecular formula
- C10H10BrNO
- Molecular weight
- 240.1
Names & synonyms
6-bromo-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one1260774-29-56-BROMO-2,3,4,5-TETRAHYDRO-2-BENZAZEPIN-1-ONE6-Bromo-2,3,4,5-tetrahydro-1h-2-benzazepin-1-one6-bromo-2,3,4,5-tetrahydrobenzo[c]azepin-1-oneSCHEMBL19643333WLZ5154MFCD15526844AKOS023599009BS-151001H-2-Benzazepin-1-one, 6-bromo-2,3,4,5-tetrahydro-
Database identifiers
- CAS
1260774-29-5
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 455.8 · 455.8±44.0 °C(Predicted)
- Density
- 1.475 · 1.475±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 14.61 · 14.61±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers11 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
芷威（上海）化学科技有限公司021-20221225 13917446399 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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