3-Chloro-4-fluorobenzaldehyde

C7H4ClFOCAS 34328-61-5158.56 g/mol

Open in Covalent MOL file
OFCl
AldehydeAryl halide

Properties

Molecular formula
C7H4ClFO
Molar mass
158.56 g/mol
Exact mass
157.9935 Da
Melting point
83–85 °C
logP
2.29Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
34328-61-5
SMILES
O=Cc1ccc(F)c(Cl)c1
InChIKey
GVORVQPNNSASDM-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H

Weigh it out

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

Names and synonyms

2 names
  • Benzaldehyde, 3-chloro-4-fluoro-
  • 4-Fluoro-3-chlorobenzaldehyde

Work with 3-Chloro-4-fluorobenzaldehyde

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

3,4-Difluorobenzaldehyde34036-07-264 % similar 3,4-Dichlorobenzaldehyde6287-38-364 % similar 4-Bromo-3-chlorobenzaldehyde120077-69-256 % similar 4-Fluoro-3-methylbenzaldehyde135427-08-656 % similar 3-Chloro-4-hydroxybenzaldehyde2420-16-856 % similar 3-Chloro-4-methylbenzaldehyde3411-03-856 % similar 3-Bromo-4-fluorobenzaldehyde77771-02-956 % similar 4-Chloro-2,5-difluorobenzaldehyde879093-02-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluorobenzoyl chloride1711-07-5 2-Chloro-6-fluorobenzaldehyde387-45-1 2-Fluorobenzoyl chloride393-52-2 4-Fluorobenzoyl chloride403-43-0 4-Chloro-3-fluorobenzaldehyde5527-95-7 4-Chloro-2-fluorobenzaldehyde61072-56-8 2-Chloro-5-fluorobenzaldehyde84194-30-9 2-Chloro-4-fluorobenzaldehyde84194-36-5

Elsewhere

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