1,2-Dibromo-1,1-dichloroethane
Properties
- Molecular formula
- C2H2Br2Cl2
- Molar mass
- 256.75 g/mol
- Exact mass
- 253.7900 Da
- Density
- 2.14 g/mL
- Melting point
- −26 °C
- Boiling point
- 195 °C
- logP
- 2.91Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
75-81-0SMILES
ClC(Cl)(Br)CBrInChIKey
FIYBYNHDEOSJPL-UHFFFAOYSA-NInChI
InChI=1S/C2H2Br2Cl2/c3-1-2(4,5)6/h1H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Ethane, 1,2-dibromo-1,1-dichloro-
- 1,2-Dibromo-2,2-dichloroethane
- 1,1-Dichloro-1,2-dibromoethane
- NSC 6199
Work with 1,2-Dibromo-1,1-dichloroethane
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
1,3-Dibromo-2,2-bis(bromomethyl)propane3229-00-335 % similar
2-Bromoisobutyl bromide594-34-335 % similar
1,2-Dibromo-1,1-difluoroethane75-82-133 % similar
1,1-Bis(bromomethyl)cyclopropane29086-41-732 % similar
2-Bromo-1,1,1-trifluoroethane421-06-730 % similar
1-Bromo-2,2-dimethylpropane630-17-130 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.