1-Bromo-2-naphthalenecarboxaldehyde

C₁₁H₇BrOCAS 3378-82-3235.08 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₁₁H₇BrO
Molar mass: 235.08 g/mol
Exact mass: 233.9680 Da
Melting point: 119–120 °C
logP: 3.41Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 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

3378-82-3

SMILES

O=Cc1ccc2ccccc2c1Br

InChIKey

CYGUXEZVBLMVRV-UHFFFAOYSA-N

InChI

InChI=1S/C11H7BrO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-7H

Weigh it out

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

Names and synonyms

4 names

2-Naphthalenecarboxaldehyde, 1-bromo-
2-Naphthaldehyde, 1-bromo-
1-Bromo-2-naphthaldehyde
1-Bromonaphthalene-2-carbaldehyde

Work with 1-Bromo-2-naphthalenecarboxaldehyde

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-Naphthalenecarboxaldehyde66-77-357 % similar 2-Bromobenzene-1,3-dialdehyde79839-49-955 % similar 1-Bromo-2-hydroxynaphthalene573-97-753 % similar 2-Hydroxy-1-naphthaldehyde708-06-550 % similar 1-Bromonaphthalen-2-amine20191-75-748 % similar 1-Bromo-2-methylnaphthalene2586-62-148 % similar 9-Phenanthrenecarboxaldehyde4707-71-548 % similar 1-Pyrenecarboxaldehyde3029-19-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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