chempirical

2-(Bromomethyl)naphthalene

C11H9BrCAS 939-26-4221.10 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C11H9Br
Molar mass
221.10 g/mol
Exact mass
219.9888 Da
Melting point
56 °C
Boiling point
168–172 °C (at 13 Torr)
logP
3.73Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
939-26-4
SMILES
BrCc1ccc2ccccc2c1
InChIKey
RUHJZSZTSCSTCC-UHFFFAOYSA-N
InChI
InChI=1S/C11H9Br/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2

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Names and synonyms

7 names
  • Naphthalene, 2-(bromomethyl)-
  • 2-Menaphthyl bromide
  • β-Naphthylmethyl bromide
  • β-(Bromomethyl)naphthalene
  • 2-Naphthylmethyl bromide
  • (Naphthalen-2-yl)methyl bromide
  • 2-(Bromomethyl)naphthalen

Work with 2-(Bromomethyl)naphthalene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Naphthalenemethanol1592-38-756 % similar 2-(Chloromethyl)naphthalene2506-41-456 % similar 2-Ethylnaphthalene939-27-556 % similar 1,3-Bis(bromomethyl)benzene626-15-354 % similar 2-Naphthaleneethanol1485-07-052 % similar 2-Naphthaleneacetonitrile7498-57-952 % similar Benzyl bromide100-39-050 % similar 1,4-Bis(bromomethyl)benzene623-24-550 % similar

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

Same formula

1-Bromo-2-methylnaphthalene2586-62-1 1-Bromo-4-methylnaphthalene6627-78-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook