1-Bromobutane
Properties
- Molecular formula
- C4H9Br
- Molar mass
- 137.02 g/mol
- Exact mass
- 135.9888 Da
- Density
- 1.2686 g/mL (at 25 °C)
- Melting point
- −112 °C
- Boiling point
- 101.3 °C
- Flash point
- 18.3 °C (open cup)
- logP
- 2.18Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
Hazards
Danger
- H225 Highly Flammable liquid and vapor69.7% of notifiers
- H226 Flammable liquid and vapor26.4% of notifiers
- H315 Causes skin irritation96.7% of notifiers
- H319 Causes serious eye irritation78.3% of notifiers
- H335 May cause respiratory irritation90.8% of notifiers
- H351 Suspected of causing cancer48.4% of notifiers
- H360FD May damage fertility; May damage the unborn child45.7% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure44.5% of notifiers
- H411 Toxic to aquatic life with long lasting effects62.9% of notifiers
Aggregated from 337 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
109-65-9SMILES
CCCCBrInChIKey
MPPPKRYCTPRNTB-UHFFFAOYSA-NInChI
InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Butane, 1-bromo-
- Butyl bromide
- n-Butyl bromide
- 1-Butyl bromide
Reactions
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 109-65-9. Each row opens the sheet with its composition and PDF.
Work with 1-Bromobutane
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-Bromopentane110-53-280 % similar
1-Bromohexane111-25-175 % similar
1-Bromooctane111-83-175 % similar
1-Bromodecane112-29-875 % similar
1-Bromotetradecane112-71-075 % similar
1-Bromohexadecane112-82-375 % similar
1-Bromooctadecane112-89-075 % similar
1-Bromododecane143-15-775 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.