Bromal

C₂HBr₃OCAS 115-17-3280.74 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide

Properties

Molecular formula: C₂HBr₃O
Molar mass: 280.74 g/mol
Exact mass: 277.7578 Da
Density: 2.66 g/mL
Melting point: −57.5 °C
Boiling point: 174 °C
logP: 2.02Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H310 Fatal in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, P501

Identifiers

CAS number

115-17-3

SMILES

O=CC(Br)(Br)Br

InChIKey

YTGSYRVSBPFKMQ-UHFFFAOYSA-N

InChI

InChI=1S/C2HBr3O/c3-2(4,5)1-6/h1H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names

Acetaldehyde, 2,2,2-tribromo-
Acetaldehyde, tribromo-
2,2,2-Tribromoacetaldehyde
Tribromoacetaldehyde
NSC 66406
2,2,2-Tribromoethanal

Reactions

Bromalproduct

Work with Bromal

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

Chloral75-87-635 % similar Pivaldehyde630-19-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia