chempirical

1-Bromo-4-methylnaphthalene

C11H9BrCAS 6627-78-7221.10 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C11H9Br
Molar mass
221.10 g/mol
Exact mass
219.9888 Da
Melting point
5.5–6 °C
Boiling point
160–165 °C
logP
3.91Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
6627-78-7
SMILES
Cc1ccc(Br)c2ccccc12
InChIKey
IDRVLLRKAAHOBP-UHFFFAOYSA-N
InChI
InChI=1S/C11H9Br/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7H,1H3

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

Names and synonyms

5 names
  • Naphthalene, 1-bromo-4-methyl-
  • 4-Bromo-1-methylnaphthalene
  • 4-Methyl-1-bromonaphthalene
  • NSC 60231
  • 1-Methyl-4-bromonaphthalene

Work with 1-Bromo-4-methylnaphthalene

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

1,4-Dimethylnaphthalene571-58-467 % similar 1,4-Dibromonaphthalene83-53-467 % similar 1,5-Dimethylnaphthalene571-61-952 % similar 1-Amino-4-bromonaphthalene2298-07-950 % similar 1-Bromo-4-fluoronaphthalene341-41-350 % similar 1-Bromo-4-methoxynaphthalene5467-58-350 % similar 6,12-Dibromochrysene131222-99-646 % similar (4-Methyl-1-naphthalene)boronic acid103986-53-445 % similar

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

Same formula

1-Bromo-2-methylnaphthalene2586-62-1 2-(Bromomethyl)naphthalene939-26-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook