1-(2-Bromoethyl)naphthalene

C12H11BrCAS 13686-49-2235.12 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C12H11Br
Molar mass
235.12 g/mol
Exact mass
234.0044 Da
logP
3.78Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
13686-49-2
SMILES
C1=CC=C2C(=C1)C=CC=C2CCBr
InChIKey
GPHCPUFIWQJZOI-UHFFFAOYSA-N
InChI
InChI=1S/C12H11Br/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2

Weigh it out

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

Work with 1-(2-Bromoethyl)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

1,2-Di(alpha-naphthyl)ethane15374-45-571 % similar 1-(Bromomethyl)naphthalene3163-27-763 % similar Naphthalen-1-ethanol773-99-959 % similar 1-(2-Bromoethyl)-2-chlorobenzene16793-91-255 % similar 1-Ethylnaphthalene1127-76-052 % similar 1-Naphthalenemethanamine118-31-052 % similar 1-Chloromethylnaphthalene35255-58-452 % similar 1-Naphthalenemethanol4780-79-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook