1-Chloroheptane

C7H15ClCAS 629-06-1134.65 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C7H15Cl
Molar mass
134.65 g/mol
Exact mass
134.0862 Da
Density
0.8741 g/mL (at 20 °C)
Melting point
−69.5 °C
Boiling point
159 °C
logP
3.20Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 71 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
629-06-1
SMILES
CCCCCCCCl
InChIKey
DZMDPHNGKBEVRE-UHFFFAOYSA-N
InChI
InChI=1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • Heptane, 1-chloro-
  • Heptyl chloride
  • n-Heptyl chloride

Work with 1-Chloroheptane

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-Chlorodecane1002-69-3100 % similar 1-Chlorooctane111-85-3100 % similar 1-Chlorododecane112-52-7100 % similar 1-Chlorotetradecane2425-54-9100 % similar 1-Chlorononane2473-01-0100 % similar 1-Chlorooctadecane3386-33-2100 % similar 1-Chlorohexadecane4860-03-1100 % similar 1-Chlorohexane544-10-5100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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