3-Bromo-4-methoxybenzaldehyde

C₈H₇BrO₂CAS 34841-06-0215.05 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₈H₇BrO₂
Molar mass: 215.05 g/mol
Exact mass: 213.9629 Da
Melting point: 43–44 °C
Boiling point: 108–110 °C (at 1 Torr)
logP: 2.27Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 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

34841-06-0

SMILES

COc1ccc(C=O)cc1Br

InChIKey

QMPNFQLVIGPNEI-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3

Weigh it out

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

Names and synonyms

4 names

p-Anisaldehyde, 3-bromo-
Benzaldehyde, 3-bromo-4-methoxy-
3-Bromo-p-anisaldehyde
NSC 158162

Work with 3-Bromo-4-methoxybenzaldehyde

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

Veratraldehyde120-14-968 % similar 3-Bromo-4,5-dimethoxybenzaldehyde6948-30-763 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-462 % similar 3-Iodo-4-methoxybenzaldehyde2314-37-660 % similar 3-Fluoro-4-methoxybenzaldehyde351-54-260 % similar 3-Chloro-4-methoxybenzaldehyde4903-09-760 % similar Isovanillin621-59-060 % similar 5-Bromovanillin2973-76-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-1 2-Bromophenylacetic acid18698-97-0 3-Bromophenylacetic acid1878-67-7 4-Bromophenylacetic acid1878-68-8 2-Bromo-2'-hydroxyacetophenone2491-36-3 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-4 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook