1-(3-Bromopyridin-4-yl)ethanone
Properties
- Molecular formula
- C7H6BrNO
- Molar mass
- 200.03 g/mol
- Exact mass
- 198.9633 Da
- logP
- 2.05Crippen estimate
- Polar surface area
- 30.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
111043-06-2SMILES
CC(=O)C1=C(C=NC=C1)BrInChIKey
JCSJIVMVXJQSDE-UHFFFAOYSA-NInChI
InChI=1S/C7H6BrNO/c1-5(10)6-2-3-9-4-7(6)8/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1-(3-Bromopyridin-4-yl)ethan-1-one
Work with 1-(3-Bromopyridin-4-yl)ethanone
Similar compounds
3-Bromoisonicotinic acid13959-02-959 % similar
Methyl 3-bromoisonicotinate59786-31-158 % similar
2′-Bromoacetophenone2142-69-058 % similar
Ethyl 3-bromopyridine-4-carboxylate13959-01-854 % similar
1-(2-Bromo-4-fluorophenyl)ethanone1006-39-949 % similar
1-(2-Bromo-4-hydroxyphenyl)ethanone61791-99-949 % similar
1-(2-Bromo-4-chlorophenyl)ethanone825-40-149 % similar
1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-147 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.