1,4-Dibromobutane
Properties
- Molecular formula
- C4H8Br2
- Molar mass
- 215.92 g/mol
- Exact mass
- 213.8993 Da
- Density
- 1.75 g/mL (at 15 °C)
- Melting point
- −16.5 °C
- Boiling point
- 197 °C
- logP
- 2.56Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 3
Hazards
Danger
- H301 Toxic if swallowed76.8% of notifiers
- H315 Causes skin irritation89.9% of notifiers
- H318 Causes serious eye damage78.3% of notifiers
- H319 Causes serious eye irritation13% of notifiers
- H335 May cause respiratory irritation84.1% of notifiers
- H412 Harmful to aquatic life with long lasting effects55.1% of notifiers
Aggregated from 69 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
110-52-1SMILES
BrCCCCBrInChIKey
ULTHEAFYOOPTTB-UHFFFAOYSA-NInChI
InChI=1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Butane, 1,4-dibromo-
- Tetramethylene dibromide
- Tetramethylenebromide
- α,ω-Dibromobutane
- NSC 71435
- 1,4-Butylene dibromide
Work with 1,4-Dibromobutane
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
1,5-Dibromopentane111-24-089 % similar
1,11-Dibromoundecane16696-65-489 % similar
1,12-Dibromododecane3344-70-589 % similar
1,10-Dibromodecane4101-68-289 % similar
1,16-Dibromohexadecane45223-18-589 % similar
1,7-Dibromoheptane4549-31-989 % similar
1,8-Dibromooctane4549-32-089 % similar
1,9-Dibromononane4549-33-189 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds