3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde

C8H3ClF4OCAS 261763-02-4226.55 g/mol

Open in Covalent MOL file
OFFFClF
AldehydeAlkyl halideAryl halide

Properties

Molecular formula
C8H3ClF4O
Molar mass
226.55 g/mol
Exact mass
225.9809 Da
logP
3.31Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
261763-02-4
SMILES
O=Cc1cc(C(F)(F)F)cc(Cl)c1F
InChIKey
MSZTVIFIFJCNRQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H3ClF4O/c9-6-2-5(8(11,12)13)1-4(3-14)7(6)10/h1-3H

Weigh it out

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

Names and synonyms

3 names
  • Benzaldehyde, 3-chloro-2-fluoro-5-(trifluoromethyl)-
  • 2-Fluoro-3-chloro-5-trifluoromethylbenzaldehyde
  • 3-Chloro-5-trifluoromethyl-2-fluorobenzaldehyde

Work with 3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde

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

3,5-Dichloro-4-fluorobenzotrifluoride77227-81-765 % similar 2-Chloro-4-(trifluoromethyl)benzaldehyde82096-91-161 % similar 2-Chloro-5-(trifluoromethyl)benzaldehyde82386-89-861 % similar 3-Chloro-4,5-difluorobenzotrifluoride77227-99-757 % similar 3-Chloro-2-fluorobenzaldehyde85070-48-054 % similar 3-Chloro-4-fluoro-5-nitrobenzotrifluoride101646-02-051 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride261763-03-551 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid129931-45-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-6-(trifluoromethyl)benzoyl chloride109227-12-5 2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-0 3-Fluoro-5-(trifluoromethyl)benzoyl chloride171243-30-4 3-Chloro-2-fluoro-6-(trifluoromethyl)benzaldehyde186517-29-3 4-Fluoro-2-(trifluoromethyl)benzoyl chloride189807-21-4 2-Fluoro-5-(trifluoromethyl)benzoyl chloride207981-46-2 2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-7 3-Fluoro-4-(trifluoromethyl)benzoyl chloride216144-68-2

Elsewhere

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