1,1,2-Tribromoethene
Properties
- Molecular formula
- C2HBr3
- Molar mass
- 264.74 g/mol
- Exact mass
- 261.7628 Da
- Density
- 2.5415 g/mL (at 25 °C)
- Melting point
- 216–218 °C
- Boiling point
- 164 °C
- logP
- 2.97Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation33.3% of notifiers
Aggregated from 3 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
598-16-3SMILES
BrC=C(Br)BrInChIKey
OZVJKTHTULCNHB-UHFFFAOYSA-NInChI
InChI=1S/C2HBr3/c3-1-2(4)5/h1HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Ethene, 1,1,2-tribromo-
- Ethene, tribromo-
- Tribromoethylene
- 1,1,2-Tribromoethylene
- Tribromoethene
- NSC 343621
- Ethylene, tribromo-
Work with 1,1,2-Tribromoethene
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-Bromo-2-methyl-1-propene3017-69-435 % similar
2-Bromo-1,1-difluoroethene359-08-035 % similar
1,2-Dibromo-3,3,3-trifluoro-1-propene431-22-133 % similar
1-Bromo-2-(trifluoromethyl)-3,3,3-trifluoroprop-1-ene382-15-030 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.