1-Bromopropane
Properties
- Molecular formula
- C3H7Br
- Molar mass
- 122.99 g/mol
- Exact mass
- 121.9731 Da
- Density
- 1.353 g/mL (at 20 °C)
- Melting point
- −110 °C
- Boiling point
- 71 °C
- Flash point
- 22 °C (closed cup)
- Water solubility
- 2.45 g/L (20 °C)
- logP
- 1.79Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H315 Causes skin irritationSkin corrosion/irritation
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects
- H360FD May damage fertility; May damage the unborn childReproductive toxicity
- H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
Harmonised EU classification (CLP Annex VI, index 602-019-00-5), via PubChem.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
106-94-5SMILES
CCCBrInChIKey
CYNYIHKIEHGYOZ-UHFFFAOYSA-NInChI
InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Propane, 1-bromo-
- Propyl bromide
- n-Propyl bromide
- Leksol
- Ascusol MC
- 1-Propyl bromide
- Drysolv
- 3-Bromopropane
- Abzol JG
- PS Cleaner
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 106-94-5. Each row opens the sheet with its composition and PDF.
Work with 1-Bromopropane
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-Bromobutane109-65-960 % similar
1-Bromopentane110-53-256 % similar
1-Bromohexane111-25-153 % similar
1-Bromooctane111-83-153 % similar
1-Bromodecane112-29-853 % similar
1-Bromotetradecane112-71-053 % similar
1-Bromohexadecane112-82-353 % similar
1-Bromooctadecane112-89-053 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.