4-Chloro-2,5-difluorobenzaldehyde

C7H3ClF2OCAS 879093-02-4176.55 g/mol

Open in Covalent MOL file
FClFO
AldehydeAryl halide

Properties

Molecular formula
C7H3ClF2O
Molar mass
176.55 g/mol
Exact mass
175.9840 Da
logP
2.43Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
879093-02-4
SMILES
C1=C(C(=CC(=C1F)Cl)F)C=O
InChIKey
XPZYVMBPIANKJG-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF2O/c8-5-2-6(9)4(3-11)1-7(5)10/h1-3H

Weigh it out

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

Work with 4-Chloro-2,5-difluorobenzaldehyde

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

2,4,5-Trifluorobenzaldehyde165047-24-565 % similar 2-Chloro-4-bromo-5-fluorobenzaldehyde1214386-29-458 % similar 4-Bromo-2,5-difluorobenzaldehyde357405-75-555 % similar 2,5-Difluoro-4-hydroxybenzaldehyde918523-99-655 % similar 3-Chloro-4-fluorobenzaldehyde34328-61-553 % similar 4-Chloro-3-fluorobenzaldehyde5527-95-753 % similar 4-Chloro-2-fluorobenzaldehyde61072-56-853 % similar 5-Chloro-2-fluorobenzaldehyde96515-79-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-2,4-difluorobenzaldehyde127675-46-1 3,5-Difluorobenzoyl chloride129714-97-2 2-Chloro-4,5-difluorobenzaldehyde165047-23-4 2,6-Difluorobenzoyl chloride18063-02-0 2,3-Difluorobenzoyl chloride18355-73-2 3-Chloro-2,6-difluorobenzaldehyde190011-87-1 4-Chloro-2,6-difluorobenzaldehyde252004-45-8 2-Chloro-3,6-difluorobenzaldehyde261762-39-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook