chempirical

1-Chlorobutane

C4H9ClCAS 109-69-392.57 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C4H9Cl
Molar mass
92.57 g/mol
Exact mass
92.0393 Da
Density
0.8865 g/mL (at 20 °C)
Melting point
−123.1 °C
Boiling point
78.5 °C
Flash point
-9.4 °C (closed cup)
Water solubility
miscible
logP
2.03Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)

Harmonised EU classification (CLP Annex VI, index 602-059-00-3), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
109-69-3
SMILES
CCCCCl
InChIKey
VFWCMGCRMGJXDK-UHFFFAOYSA-N
InChI
InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Butane, 1-chloro-
  • Butyl chloride
  • n-Butyl chloride
  • n-Propylcarbinyl chloride
  • n-Chlorobutane
  • Chlorobutane
  • NSC 8419
  • 1-Butylchloride

Reactions

Work with 1-Chlorobutane

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-Chloropentane543-59-980 % similar 1-Chlorodecane1002-69-375 % similar 1-Chlorooctane111-85-375 % similar 1-Chlorododecane112-52-775 % similar 1-Chlorotetradecane2425-54-975 % similar 1-Chlorononane2473-01-075 % similar 1-Chlorooctadecane3386-33-275 % similar 1-Chlorohexadecane4860-03-175 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butyl chloride507-20-0 Isobutyl chloride513-36-0 2-Chlorobutane78-86-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia