1,1-Dibromoethane
Properties
- Molecular formula
- C2H4Br2
- Molar mass
- 187.86 g/mol
- Exact mass
- 185.8680 Da
- Density
- 2.104 g/mL (at 20 °C)
- Melting point
- −63 °C
- Boiling point
- 109 °C
- logP
- 2.12Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed66.7% of notifiers
- H302 Harmful if swallowed33.3% of notifiers
- H311 Toxic in contact with skin66.7% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H331 Toxic if inhaled66.7% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H335 May cause respiratory irritation33.3% of notifiers
- H351 Suspected of causing cancer66.7% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
557-91-5SMILES
CC(Br)BrInChIKey
APQIUTYORBAGEZ-UHFFFAOYSA-NInChI
InChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Ethane, 1,1-dibromo-
- Ethylidene dibromide
Work with 1,1-Dibromoethane
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
2,3-Dibromobutane5408-86-638 % similar
2-Bromopropane75-26-338 % similar
2,4-Dibromopentane19398-53-931 % similar
2,5-Dibromohexane24774-58-131 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.