1-(Bromomethyl)-2-methylcyclohexane
Basic information
- CAS
68996-12-3- Standard SMILES
CC1CCCCC1CBr- InChIKey
NWTCRANYIBNHJZ-UHFFFAOYSA-N- Molecular formula
- C8H15Br
- Average molar mass
- 191.11 g/mol
- Monoisotopic mass
- 190.03571
Names & identifiers
- Preferred name
- 1-(Bromomethyl)-2-methylcyclohexane
- IUPAC
- 1-(bromomethyl)-2-methylcyclohexane
- English name
- 1-(bromomethyl)-2-methylcyclohexane
- Molecular formula
- C8H15Br
- Molecular weight
- 191.11
Names & synonyms
1-(bromomethyl)-2-methylcyclohexane68996-12-3o-Xylene, alpha-bromo- (8CI)TCA99612AKOS014774820Benzene, 1-(bromomethyl)-2-methyl- (9CI)EN300-219023Cyclohexane, 1-(bromomethyl)-2-methyl-
Database identifiers
- CAS
68996-12-3- PubChem CID
- 54545909
- EC Number
- 884-002-4
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 80.6
Physicochemical properties
- Boiling point
- 190.3 · 190.3±8.0 °C(Predicted)
- Density
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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