n-Propyl chloride

C3H7ClCAS 540-54-578.54 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C3H7Cl
Molar mass
78.54 g/mol
Exact mass
78.0236 Da
Density
0.8899 g/mL (at 20 °C)
Melting point
−122.8 °C
Boiling point
46.6 °C
Flash point
-17.8 °C (closed cup)
Water solubility
2.72 g/L (25 °C)
logP
1.64Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 602-018-00-X[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
540-54-5
SMILES
CCCCl
InChIKey
SNMVRZFUUCLYTO-UHFFFAOYSA-N
InChI
InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

3 names
  • Propane, 1-chloro-
  • 1-Chloropropane
  • Propyl chloride

Work with n-Propyl chloride

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-Chlorobutane109-69-360 % similar 1-Chloropentane543-59-956 % similar 1-Chlorodecane1002-69-353 % similar 1-Chlorooctane111-85-353 % similar 1-Chlorododecane112-52-753 % similar 1-Chlorotetradecane2425-54-953 % similar 1-Chlorononane2473-01-053 % similar 1-Chlorooctadecane3386-33-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isopropyl chloride75-29-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia