chempirical

2-Ethylhexyl bromide

C8H17BrCAS 18908-66-2193.13 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C8H17Br
Molar mass
193.13 g/mol
Exact mass
192.0514 Da
Density
1.1197 g/mL (at 25 °C)
Melting point
158–160 °C
Boiling point
93–98 °C
logP
3.60Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
18908-66-2
SMILES
CCCCC(CC)CBr
InChIKey
NZWIYPLSXWYKLH-UHFFFAOYSA-N
InChI
InChI=1S/C8H17Br/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3

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

Names and synonyms

6 names
  • Heptane, 3-(bromomethyl)-
  • 3-(Bromomethyl)heptane
  • 1-Bromo-2-ethylhexane
  • 2-Ethyl-1-hexyl bromide
  • 1-Bromoiso-octane
  • 2-Ethyl-1-bromohexane

Work with 2-Ethylhexyl bromide

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

7-(Bromomethyl)pentadecane52997-43-064 % similar Di(2-ethylhexyl)ether10143-60-960 % similar 1-Bromo-2-ethylbutane3814-34-459 % similar 2-Ethylhexylamine104-75-656 % similar 2-Ethylhexanol104-76-756 % similar Bis(2-ethylhexyl)amine106-20-756 % similar 3-(Chloromethyl)heptane123-04-656 % similar Tris(2-ethylhexyl)amine1860-26-056 % similar

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

Same formula

1-Bromooctane111-83-1 2-Bromooctane557-35-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook