1,3-Dibromo-2-propanone
Properties
- Molecular formula
- C3H4Br2O
- Molar mass
- 215.87 g/mol
- Exact mass
- 213.8629 Da
- Melting point
- 26 °C
- Boiling point
- 97–98 °C (at NaN Torr)
- logP
- 1.35Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed12.5% of notifiers
- H314 Causes severe skin burns and eye damage75% of notifiers
- H315 Causes skin irritation25% of notifiers
- H317 May cause an allergic skin reaction75% of notifiers
- H318 Causes serious eye damage12.5% of notifiers
- H319 Causes serious eye irritation25% of notifiers
- H330 Fatal if inhaled12.5% of notifiers
- H332 Harmful if inhaled12.5% of notifiers
- H335 May cause respiratory irritation25% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
816-39-7SMILES
O=C(CBr)CBrInChIKey
LQQKDSXCDXHLLF-UHFFFAOYSA-NInChI
InChI=1S/C3H4Br2O/c4-1-3(6)2-5/h1-2H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 2-Propanone, 1,3-dibromo-
- 1,3-Dibromoacetone
- Bis(bromomethyl) ketone
- NSC 249810
Work with 1,3-Dibromo-2-propanone
Similar compounds
Bromomethyl ethyl ketone816-40-061 % similar
1,4-Dibromo-2,3-butanedione6305-43-750 % similar
Bromoacetyl bromide598-21-044 % similar
Ethyl 4-bromoacetoacetate13176-46-042 % similar
Bromoacetic anhydride13094-51-442 % similar
Bromoacetyl chloride22118-09-842 % similar
Bromoacetone598-31-242 % similar
Bromoacetic acid79-08-342 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.