4-Chlorobenzaldehyde
Properties
- Molecular formula
- C7H5ClO
- Molar mass
- 140.57 g/mol
- Exact mass
- 140.0029 Da
- Density
- 1.196 g/mL (at 61.1 °C)
- Melting point
- 47.5 °C
- Boiling point
- 213.5 °C
- Flash point
- 87.8 °C
- Water solubility
- < 1 g/L (19.5 °C)
- logP
- 2.15Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation99.6% of notifiers
- H317 May cause an allergic skin reaction76.7% of notifiers
- H319 Causes serious eye irritation99.6% of notifiers
- H335 May cause respiratory irritation17.2% of notifiers
- H411 Toxic to aquatic life with long lasting effects81.5% of notifiers
Aggregated from 227 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
104-88-1SMILES
O=Cc1ccc(Cl)cc1InChIKey
AVPYQKSLYISFPO-UHFFFAOYSA-NInChI
InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Benzaldehyde, 4-chloro-
- Benzaldehyde, p-chloro-
- p-Chlorobenzaldehyde
- p-Chlorobenzenecarboxaldehyde
- para-Chlorobenzaldehyde
- p-Chlorophenylaldehyde
- NSC 2078
- 4-Formylphenyl chloride
- 1-Chloro-4-formylbenzene
Reactions
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 104-88-1. Each row opens the sheet with its composition and PDF.
Work with 4-Chlorobenzaldehyde
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4-(4-Chlorophenoxy)benzaldehyde61343-99-575 % similar
1,4-Benzenedicarboxaldehyde623-27-867 % similar
3′,5′-Dichloro[1,1′-biphenyl]-4-carboxaldehyde221018-04-862 % similar
4'-Chlorobiphenyl-3-carbaldehyde139502-80-057 % similar
3'-Chloro-[1,1'-biphenyl]-4-carbaldehyde400744-49-257 % similar
[1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-857 % similar
3,5-Dichlorobenzaldehyde10203-08-457 % similar
Tris(4-formylphenyl)amine119001-43-357 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds