1-Bromo-2-methylnaphthalene

C11H9BrCAS 2586-62-1221.10 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
Boiling point
165–170 °C (at 13 Torr)
logP
3.91Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2586-62-1
SMILES
Cc1ccc2ccccc2c1Br
InChIKey
CMIMBQIBIZZZHQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H9Br/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,1H3

Weigh it out

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

Names and synonyms

4 names
  • Naphthalene, 1-bromo-2-methyl-
  • β-Methyl-α-bromonaphthalene
  • 2-Methyl-1-bromonaphthalene
  • NSC 36286

Work with 1-Bromo-2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Dimethylnaphthalene573-98-857 % similar 2-Bromo-1,3-dimethylbenzene576-22-756 % similar 1-Bromonaphthalen-2-amine20191-75-753 % similar 2-Methyl-1-naphthalenamine2246-44-853 % similar 1-Bromo-2-hydroxynaphthalene573-97-753 % similar 1-Bromo-2-methoxynaphthalene3401-47-653 % similar Methylnaphthalene1321-94-452 % similar 9-Bromoanthracene1564-64-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(Bromomethyl)naphthalene3163-27-7 1-Bromo-4-methylnaphthalene6627-78-7 2-(Bromomethyl)naphthalene939-26-4

Elsewhere

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