Basic information
- CAS
2633-42-3- Standard SMILES
Cc1cccc(C)c1C(=O)CBr- InChIKey
YSICJHNHYWMNBM-UHFFFAOYSA-N- Molecular formula
- C10H11BrO
- Average molar mass
- 227.1 g/mol
- Monoisotopic mass
- 225.99933
Names & identifiers
- Preferred name
- 2-Bromo-1-(2,6-dimethylphenyl)ethan-1-one
- IUPAC
- 2-bromo-1-(2,6-dimethylphenyl)ethanone
Names & synonyms
2633-42-32-bromo-1-(2,6-dimethylphenyl)ethan-1-oneRefChem:465865854-100-12-bromo-1-(2,6-dimethylphenyl)ethanone2-bromo-2',6'-dimethylacetophenoneSCHEMBL5725592MFCD22055973SY358397EN300-4334165
Database identifiers
- CAS
2633-42-3- PubChem CID
- 14972767
- EC Number
- 854-100-1
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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