Basic information
- CAS
10409-47-9- Standard SMILES
CC1(Br)CCCCC1=O- InChIKey
NRPGPYHKXNYPCG-UHFFFAOYSA-N- Molecular formula
- C7H11BrO
- Average molar mass
- 191.07 g/mol
- Monoisotopic mass
- 189.99933
Names & identifiers
- Preferred name
- 2-Bromo-2-methylcyclohexanone
- IUPAC
- 2-bromo-2-methylcyclohexan-1-one
Names & synonyms
2-bromo-2-methylcyclohexanone2-bromo-2-methylcyclohexan-1-one10409-47-9DTXSID201307382RefChem:466163DTXCID401737325631-274-5Cyclohexanone, 2-bromo-2-methyl-SCHEMBL7655453NRPGPYHKXNYPCG-UHFFFAOYSA-N2-bromo-2-methyl-1-cyclohexanoneAKOS015906786
Show more names
EN300-102189
Database identifiers
- CAS
10409-47-9- PubChem CID
- 11116853
- DTXSID
DTXSID201307382- EC Number
- 631-274-5
- Nikkaji
- J659.613D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 133
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Related reactions
6 records
Compound notes
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