1-(3-Bromo-4-methylphenyl)ethan-1-one
Properties
- Molecular formula
- C9H9BrO
- Molar mass
- 213.07 g/mol
- Exact mass
- 211.9837 Da
- logP
- 2.96Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
40180-80-1SMILES
CC1=C(C=C(C=C1)C(=O)C)BrInChIKey
PDJLFESXPVLVMR-UHFFFAOYSA-NInChI
InChI=1S/C9H9BrO/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3'-Bromo-4'-methylacetophenone
Work with 1-(3-Bromo-4-methylphenyl)ethan-1-one
Similar compounds
3,4-Dimethylacetophenone3637-01-267 % similar
1-(3-Bromo-4-fluorophenyl)ethanone1007-15-462 % similar
3-Bromo-4-methylbenzoic acid7697-26-962 % similar
Methyl 3-bromo-4-methylbenzoate104901-43-158 % similar
1-(3-Bromo-4-methoxyphenyl)ethanone35310-75-958 % similar
1-(4-Bromo-3-fluorophenyl)ethan-1-one304445-49-657 % similar
3'-Nitro-4'-methylacetophenone5333-27-755 % similar
4-Fluoro-3-methylacetophenone369-32-454 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.