2-Chloro-4-fluorobenzaldehyde

C₇H₄ClFOCAS 84194-36-5158.56 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₄ClFO
Molar mass: 158.56 g/mol
Exact mass: 157.9935 Da
logP: 2.29Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98.1% of notifiers

Aggregated from 52 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

84194-36-5

SMILES

O=Cc1ccc(F)cc1Cl

InChIKey

KMQWNQKESAHDKD-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClFO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H

Weigh it out

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

Names and synonyms

1 names

Benzaldehyde, 2-chloro-4-fluoro-

Work with 2-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

2,4-Difluorobenzaldehyde1550-35-260 % similar 2,4-Dichlorobenzaldehyde874-42-060 % similar 4-Fluoro-2-hydroxybenzaldehyde348-28-758 % similar 4-Bromo-2-chlorobenzaldehyde158435-41-756 % similar 5-Fluorosalicylaldehyde347-54-656 % similar 2-Chloro-4-hydroxybenzaldehyde56962-11-956 % similar 2-Bromo-4-fluorobenzaldehyde59142-68-656 % similar 4-Fluoro-2-methylbenzaldehyde63082-45-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluorobenzoyl chloride1711-07-5 3-Chloro-4-fluorobenzaldehyde34328-61-5 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook