2-Bromo-1-cyclohexylpropan-1-one
Basic information
- CAS
101714-60-7- Standard SMILES
CC(Br)C(=O)C1CCCCC1- InChIKey
BKMKMXLHLLWKTQ-UHFFFAOYSA-N- Molecular formula
- C9H15BrO
- Average molar mass
- 219.12 g/mol
- Monoisotopic mass
- 218.03063
Names & identifiers
- Preferred name
- 2-Bromo-1-cyclohexylpropan-1-one
- IUPAC
- 2-bromo-1-cyclohexylpropan-1-one
- English name
- 1-Propanone, 2-bromo-1-cyclohexyl- (6CI,9CI)
- Molecular formula
- C9H15BrO
- Molecular weight
- 219.1188
Names & synonyms
2-bromo-1-cyclohexylpropan-1-one101714-60-7RefChem:466065822-638-61-Propanone, 2-bromo-1-cyclohexyl- (6CI,9CI)2-Bromo-1-cyclohexyl-1-propanoneCHEMBL4494161-Propanone, 2-bromo-1-cyclohexyl-DB-280288EN300-224465
Database identifiers
- CAS
101714-60-7- PubChem CID
- 13664015
- ChEMBL
CHEMBL449416- EC Number
- 822-638-6
- Nikkaji
- J1.194.361F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H227-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H227-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501
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Related reactions
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Compound notes
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