2-Bromoheptane

C7H15BrCAS 1974-04-5179.10 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C7H15Br
Molar mass
179.10 g/mol
Exact mass
178.0357 Da
Density
1.1277 g/mL (at 20 °C)
Melting point
47 °C
Boiling point
166 °C
logP
3.35Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 39 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
1974-04-5
SMILES
CCCCCC(C)Br
InChIKey
HLAUCEOFCOXKNF-UHFFFAOYSA-N
InChI
InChI=1S/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Heptane, 2-bromo-
  • 2-Heptyl bromide
  • (±)-2-Bromoheptane
  • NSC 11768
  • Heptan-2-yl bromide

Work with 2-Bromoheptane

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

sec-Octyl bromide557-35-795 % similar 2-Bromohexane3377-86-485 % similar 2-Bromopentane107-81-367 % similar 2,5-Dibromohexane24774-58-155 % similar 1,4-Dibromopentane626-87-954 % similar 2-Methylheptane592-27-852 % similar Isododecane31807-55-350 % similar 2-Methyloctane3221-61-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromoheptane1974-05-6 1-Bromo-5-methylhexane35354-37-1 1-Bromoheptane629-04-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook