1-Chloropentane
Properties
- Molecular formula
- C5H11Cl
- Molar mass
- 106.59 g/mol
- Exact mass
- 106.0549 Da
- Density
- 0.8818 g/mL (at 20 °C)
- Melting point
- −99 °C
- Boiling point
- 107.8 °C
- Flash point
- 12 °C (closed cup)
- Water solubility
- 197 mg/L (25 °C)
- logP
- 2.42Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 3
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H302 Harmful if swallowedAcute toxicity, oral
- H312 Harmful in contact with skinAcute toxicity, dermal
- H332 Harmful if inhaledAcute toxicity, inhalation
Harmonised EU classification (CLP Annex VI, index 602-022-00-1[1]), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
543-59-9SMILES
CCCCCClInChIKey
SQCZQTSHSZLZIQ-UHFFFAOYSA-NInChI
InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Pentane, 1-chloro-
- Amyl chloride
- Pentyl chloride
- n-Pentyl chloride
- n-Amyl chloride
- NSC 7898
Work with 1-Chloropentane
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-Chlorodecane1002-69-393 % similar
1-Chlorooctane111-85-393 % similar
1-Chlorododecane112-52-793 % similar
1-Chlorotetradecane2425-54-993 % similar
1-Chlorononane2473-01-093 % similar
1-Chlorooctadecane3386-33-293 % similar
1-Chlorohexadecane4860-03-193 % similar
1-Chlorohexane544-10-593 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.