Phenacyl bromide
Properties
- Molecular formula
- C8H7BrO
- Molar mass
- 199.05 g/mol
- Exact mass
- 197.9680 Da
- Melting point
- 50.5 °C
- Boiling point
- 135 °C
- logP
- 2.26Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed20.6% of notifiers
- H311 Toxic in contact with skin17.5% of notifiers
- H314 Causes severe skin burns and eye damage74.6% of notifiers
- H315 Causes skin irritation25.4% of notifiers
- H319 Causes serious eye irritation25.4% of notifiers
- H330 Fatal if inhaled19% of notifiers
- H335 May cause respiratory irritation23.8% of notifiers
Aggregated from 63 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
70-11-1SMILES
O=C(CBr)c1ccccc1InChIKey
LIGACIXOYTUXAW-UHFFFAOYSA-NInChI
InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
20 names · show all
- Ethanone, 2-bromo-1-phenyl-
- Acetophenone, 2-bromo-
- Acetophenone, α-bromo-
- 2-Bromo-1-phenylethanone
- α-Bromoacetophenone
- ω-Bromoacetophenone
- Stauffer 4644
- 2-Bromacetophenone
- Bromomethyl phenyl ketone
- ω-Bromacetophenone
- 2-Bromoacetophenone
- 2-Bromo-1-phenylethan-1-one
- Benzoylmethyl bromide
- β-Bromoacetophenone
- Phenyl bromomethyl ketone
- Bromoacetophenone
- NSC 9807
- 1-Bromo-2-phenylethan-2-one
- 1-Phenyl-2-bromoethanone
- 2-Phenyl-2-oxoethyl bromide
Reactions
Work with Phenacyl bromide
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1-(1,1'-Biphenyl)-4-yl-2-bromoethanone135-73-977 % similar
1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-768 % similar
4-Bromophenacyl bromide99-73-063 % similar
Dibenzoylmethane120-46-763 % similar
1,4-Diphenyl-1,4-butanedione495-71-663 % similar
3-Bromophenacyl bromide18523-22-362 % similar
2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-561 % similar
2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-261 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds