5-Chloro-2-methoxybenzaldehyde

C₈H₇ClO₂CAS 7035-09-8170.59 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₈H₇ClO₂
Molar mass: 170.59 g/mol
Exact mass: 170.0135 Da
Melting point: 81 °C
Boiling point: 152 °C (at 15 Torr)
logP: 2.16Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7035-09-8

SMILES

COc1ccc(Cl)cc1C=O

InChIKey

HXTWDGGMXZXOIV-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3

Weigh it out

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

Names and synonyms

4 names

Benzaldehyde, 5-chloro-2-methoxy-
o-Anisaldehyde, 5-chloro-
3-Chloro-6-methoxybenzaldehyde
2-Methoxy-5-chlorobenzaldehyde

Work with 5-Chloro-2-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

2,5-Dimethoxybenzaldehyde93-02-766 % similar 5-Bromo-2-methoxybenzaldehyde25016-01-762 % similar 5-Fluoro-2-methoxybenzaldehyde19415-51-160 % similar 2,5-Dimethoxyterephthalaldehyde7310-97-660 % similar 2,4,5-Trimethoxybenzaldehyde4460-86-056 % similar 2-Bromo-5-chlorobenzaldehyde174265-12-456 % similar 2-Amino-5-chlorobenzaldehyde20028-53-956 % similar 4-Chloro-2-methylbenzaldehyde40137-29-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxybenzoyl chloride100-07-2 Methyl 4-chlorobenzoate1126-46-1 4-Chloro-3-methoxybenzaldehyde13726-16-4 5′-Chloro-2′-hydroxyacetophenone1450-74-4 2-Chloro-3-methylbenzoic acid15068-35-6 4-(Chloromethyl)benzoic acid1642-81-5 3-Methoxybenzoyl chloride1711-05-3 (3-Chlorophenyl)acetic acid1878-65-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook