3-Chloro-4-hydroxy-5-methoxybenzaldehyde

C₈H₇ClO₃CAS 19463-48-0186.59 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether Phenol

Properties

Molecular formula: C₈H₇ClO₃
Molar mass: 186.59 g/mol
Exact mass: 186.0084 Da
Melting point: 165 °C
logP: 1.87Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

19463-48-0

SMILES

COc1cc(C=O)cc(Cl)c1O

InChIKey

ONIVKFDMLVBDRK-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3

Weigh it out

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

Names and synonyms

5 names

Benzaldehyde, 3-chloro-4-hydroxy-5-methoxy-
Vanillin, 5-chloro-
5-Chlorovanillin
5-Monochlorovanillin
NSC 45929

Work with 3-Chloro-4-hydroxy-5-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

Syringaldehyde134-96-375 % similar 3,4-Dihydroxy-5-methoxybenzaldehyde3934-87-067 % similar 3,5-Dichloro-4-hydroxybenzaldehyde2314-36-566 % similar 5-Bromovanillin2973-76-463 % similar 4-Hydroxy-3-iodo-5-methoxybenzaldehyde5438-36-863 % similar 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde79418-78-363 % similar 4-Chloro-3-methoxybenzaldehyde13726-16-459 % similar 3-Chloro-4-methoxybenzaldehyde4903-09-759 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloromandelic acid10421-85-9 4-Chlorophenoxyacetic acid122-88-3 3-Chloromandelic acid16273-37-3 2-Chloro-4-methoxybenzoic acid21971-21-1 (R)-2-(4-Chlorophenyl)-2-hydroxyethanoic acid32189-36-9 3-Chloro-2-methoxybenzoic acid3260-93-3 3-Chloro-4-hydroxyphenylacetic acid33697-81-3 5-Chloro-2-methoxybenzoic acid3438-16-2

Elsewhere

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