6-Bromo-2-methoxy-1-naphthaleneacetonitrile

C₁₃H₁₀BrNOCAS 92643-17-9276.13 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₁₃H₁₀BrNO
Molar mass: 276.13 g/mol
Exact mass: 274.9946 Da
Melting point: 140–143 °C
logP: 3.68Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

92643-17-9

SMILES

COc1ccc2cc(Br)ccc2c1CC#N

InChIKey

GZBQPAVETVFEEX-UHFFFAOYSA-N

InChI

InChI=1S/C13H10BrNO/c1-16-13-5-2-9-8-10(14)3-4-11(9)12(13)6-7-15/h2-5,8H,6H2,1H3

Weigh it out

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

Names and synonyms

4 names

1-Naphthaleneacetonitrile, 6-bromo-2-methoxy-
(6-Bromo-2-methoxy-naphthalen-1-yl)-acetonitrile
2-(6-Bromo-2-methoxynaphthalen-1-yl)acetonitrile
2-(6-Bromo-2-methoxy-1-naphthyl)acetonitrile

Work with 6-Bromo-2-methoxy-1-naphthaleneacetonitrile

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

3-Bromo-4-methoxyphenylacetonitrile772-59-848 % similar 5-Bromo-2-methoxybenzonitrile144649-99-048 % similar 3,4-Dimethoxybenzeneacetonitrile93-17-445 % similar 4-Bromo-2-methylanisole14804-31-045 % similar Bromoveratrole2859-78-145 % similar 2,5-Dimethoxyphenylacetonitrile18086-24-343 % similar 2-Bromo-4,5-dimethoxyphenylacetonitrile51655-39-143 % similar 2,4-Dibromoanisole21702-84-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-4'-bromobenzophenone1140-17-6 2-Amino-5-bromobenzophenone39859-36-4

Elsewhere

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