1-(Bromomethyl)naphthalene

C₁₁H₉BrCAS 3163-27-7221.10 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₁₁H₉Br
Molar mass: 221.10 g/mol
Exact mass: 219.9888 Da
logP: 3.73Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals25% of notifiers
H302 Harmful if swallowed25% of notifiers
H314 Causes severe skin burns and eye damage75% of notifiers
H315 Causes skin irritation25% of notifiers
H318 Causes serious eye damage25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

3163-27-7

SMILES

C1=CC=C2C(=C1)C=CC=C2CBr

InChIKey

RZJGKPNCYQZFGR-UHFFFAOYSA-N

InChI

InChI=1S/C11H9Br/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2

Weigh it out

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

Work with 1-(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-(2-Bromoethyl)naphthalene13686-49-263 % similar 1,2-Di(alpha-naphthyl)ethane15374-45-563 % similar Xylylene dibromide91-13-459 % similar 1-Bromo-2-(bromomethyl)naphthalene37763-43-259 % similar 1-Ethylnaphthalene1127-76-056 % similar 1-Naphthalenemethanamine118-31-056 % similar 1-Chloromethylnaphthalene35255-58-456 % similar 1-Naphthalenemethanol4780-79-456 % 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 2-(Bromomethyl)naphthalene939-26-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook