chempirical

2-Chlorobenzaldehyde

C7H5ClOCAS 89-98-5140.57 g/mol

Open in Covalent MOL file
OCl
AldehydeAryl halide

Properties

Molecular formula
C7H5ClO
Molar mass
140.57 g/mol
Exact mass
140.0029 Da
Density
1.2483 g/mL (at 20 °C)
Melting point
12.39 °C
Boiling point
211.9 °C
Flash point
87 °C (closed cup)
Water solubility
1–5 g/L (23.9 °C)
logP
2.15Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
89-98-5
SMILES
O=Cc1ccccc1Cl
InChIKey
FPYUJUBAXZAQNL-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H

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

Names and synonyms

8 names
  • Benzaldehyde, 2-chloro-
  • Benzaldehyde, o-chloro-
  • o-Chlorobenzaldehyde
  • o-Chlorobenzenecarboxaldehyde
  • 2-Chlorobenzoic aldehyde
  • o-Chloroformylbenzene
  • NSC 15347
  • 2-Chlorophenylcarboxaldehyde

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 89-98-5. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with 2-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

2,3-Dichlorobenzaldehyde6334-18-568 % similar 3-Chloro-2-hydroxy-benzaldehyde1927-94-263 % similar 3-Chloro-2-fluorobenzaldehyde85070-48-063 % similar Phthalaldehyde643-79-862 % similar 2,5-Dichlorobenzaldehyde6361-23-559 % similar 2,4-Dichlorobenzaldehyde874-42-059 % similar 2,6-Dichlorobenzaldehyde83-38-558 % similar 4-Bromo-2-chlorobenzaldehyde158435-41-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chlorobenzaldehyde104-88-1 3-Chlorobenzaldehyde587-04-2 Benzoyl chloride98-88-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia