Basic information
- CAS
70562-63-9- Standard SMILES
BrC1CCCCCC12OCCO2- InChIKey
CUPUHWFXOULUCT-UHFFFAOYSA-N- Molecular formula
- C9H15BrO2
- Average molar mass
- 235.12 g/mol
- Monoisotopic mass
- 234.02554182
Names & identifiers
- Preferred name
- 6-Bromo-1,4-dioxaspiro[4.6]undecane
- IUPAC
- 6-bromo-1,4-dioxaspiro[4.6]undecane
- English name
- 2-BroM-cycloheptanon-ethylenketal
- Molecular formula
- C9H15BrO2
- Molecular weight
- 235.12
Names & synonyms
6-Bromo-1,4-dioxaspiro[4.6]undecane70562-63-9NSC148968SCHEMBL7368951DTXSID40302136CUPUHWFXOULUCT-UHFFFAOYSA-N2-bromocycloheptanone ethylene ketalMFCD13151996AKOS015836055NSC-148968DB-074321CS-0455079
Show more names
NSC 1489682-BroM-cycloheptanon-ethylenketal1,4-Dioxaspiro[4.6]undecane, 6-broMo-
Database identifiers
- CAS
70562-63-9- PubChem CID
- 288226
- DTXSID
DTXSID40302136
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 287 ℃ · 287℃
- Density
- 1.4 · 1.40
- Flash point
- 125 ℃ · 125℃
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
杰达维(上海)医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
杭州东帆化学有限公司86-0571-85151182
砌块化学科技(上海)有限公司021-20432219 13918097649 · [email protected]
Related reactions
4 records
Compound notes
Loading…