Basic information
- CAS
1094432-96-8- Standard SMILES
O=C1CCCOc2c(Br)cccc21- InChIKey
QRVUNSFWSWJJHJ-UHFFFAOYSA-N- Molecular formula
- C10H9BrO2
- Average molar mass
- 241.08 g/mol
- Monoisotopic mass
- 239.97859
Names & identifiers
- Preferred name
- 9-Bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-one
- IUPAC
- 9-bromo-3,4-dihydro-2H-1-benzoxepin-5-one
- English name
- 9-BROMO-2,3,4,5-TETRAHYDRO-1-BENZOXEPIN-5-ONE
- Molecular formula
- C10H9BrO2
- Molecular weight
- 241.08
Names & synonyms
9-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-one1094432-96-8RefChem:549247843-235-19-bromo-3,4-dihydro-2H-1-benzoxepin-5-oneMFCD11206490UTB43296AKOS005363316BS-45362CS-0196501EN300-606489-bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one
Show more names
1-Benzoxepin-5(2H)-one, 9-bromo-3,4-dihydro-
N12725Z382721412
Database identifiers
- CAS
1094432-96-8- PubChem CID
- 43153232
- EC Number
- 843-235-1
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 351.6 · 351.6±41.0 °C(Predicted)
- Density
- 1.528 · 1.528±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers10 total
郑州汇聚化工有限公司13393710386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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