4-(4-Chlorophenoxy)benzaldehyde

C₁₃H₉ClO₂CAS 61343-99-5232.66 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₁₃H₉ClO₂
Molar mass: 232.66 g/mol
Exact mass: 232.0291 Da
logP: 3.94Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed88.6% of notifiers
H315 Causes skin irritation11.4% of notifiers
H317 May cause an allergic skin reaction88.6% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

61343-99-5

SMILES

C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)Cl

InChIKey

BLCXBCYVCDPFEU-UHFFFAOYSA-N

InChI

InChI=1S/C13H9ClO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H

Weigh it out

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

Work with 4-(4-Chlorophenoxy)benzaldehyde

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

4-Chlorobenzaldehyde104-88-175 % similar 4-Phenoxybenzaldehyde67-36-764 % similar 4-(4-Fluorophenoxy)benzaldehyde137736-06-260 % similar Chlorophenoxybenzene55398-86-254 % similar 4-Chlorophenyl phenyl ether7005-72-354 % similar 4-[(2,4-Dichlorobenzyl)oxy]benzaldehyde70627-17-751 % similar 4-(4-Chlorophenoxy)benzenamine101-79-150 % similar 4-Anisaldehyde123-11-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2'-Chloro-biphenyl-3-carboxylic acid168619-03-2 3′-Chloro[1,1′-biphenyl]-3-carboxylic acid168619-06-5 p-Chlorophenyl benzoate2005-08-5 2'-Chloro-biphenyl-4-carboxylic acid3808-93-3 4-Chloro-4′-hydroxybenzophenone42019-78-3 4'-Chloro-biphenyl-3-carboxylic acid4655-10-1 3'-Chloro-biphenyl-4-carboxylic acid5728-43-8 4'-Chloro-biphenyl-4-carboxylic acid5748-41-4

Elsewhere

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