2,4-Dichloro-5-fluorobenzonitrile

C7H2Cl2FNCAS 128593-93-1190.00 g/mol

Open in Covalent MOL file
NFClCl
Aryl halideNitrile

Properties

Molecular formula
C7H2Cl2FN
Molar mass
190.00 g/mol
Exact mass
188.9548 Da
logP
3.00Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
128593-93-1
SMILES
N#Cc1cc(F)c(Cl)cc1Cl
InChIKey
XZBZWBDTFUFZSU-UHFFFAOYSA-N
InChI
InChI=1S/C7H2Cl2FN/c8-5-2-6(9)7(10)1-4(5)3-11/h1-2H

Weigh it out

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

Names and synonyms

1 names
  • Benzonitrile, 2,4-dichloro-5-fluoro-

Work with 2,4-Dichloro-5-fluorobenzonitrile

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-Chloro-4,5-difluorobenzonitrile135748-34-481 % similar 4-Chloro-2,5-difluorobenzonitrile135748-35-578 % similar 5-Chloro-2,4-difluorobenzonitrile146780-26-971 % similar 2,4,5-Trifluorobenzonitrile98349-22-554 % similar 4-Chloro-3-fluorobenzonitrile110888-15-853 % similar 3-Chloro-4-fluorobenzonitrile117482-84-553 % similar 2-Chloro-5-fluorobenzonitrile57381-56-353 % similar 2-Chloro-4-fluorobenzonitrile60702-69-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichloro-3-fluorobenzonitrile161612-68-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook