1-Bromo-2-(bromomethyl)naphthalene

C11H8Br2CAS 37763-43-2299.99 g/mol

Open in Covalent MOL file
BrBr
Alkyl halideAryl halide

Properties

Molecular formula
C11H8Br2
Molar mass
299.99 g/mol
Exact mass
297.8993 Da
Melting point
103.5–105.5 °C
logP
4.50Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
37763-43-2
SMILES
BrCc1ccc2ccccc2c1Br
InChIKey
DQTOCXIHYIQHCK-UHFFFAOYSA-N
InChI
InChI=1S/C11H8Br2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-6H,7H2

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Names and synonyms

2 names
  • Naphthalene, 1-bromo-2-(bromomethyl)-
  • NSC 97068

Work with 1-Bromo-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

1-(Bromomethyl)naphthalene3163-27-759 % similar 1-Bromonaphthalen-2-amine20191-75-750 % similar 1-Bromo-2-methylnaphthalene2586-62-150 % similar 1-Bromo-2-hydroxynaphthalene573-97-750 % similar 9-Bromoanthracene1564-64-348 % similar 1-Bromo-2-naphthalenecarboxaldehyde3378-82-346 % similar 1-Bromo-2-methoxynaphthalene3401-47-646 % similar 1-(2-Bromoethyl)naphthalene13686-49-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-4-(bromomethyl)naphthalene79996-99-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook