1-Chloro-2-fluoro-4-nitrobenzene

C6H3ClFNO2CAS 350-31-2175.54 g/mol

Open in Covalent MOL file
ON+O−ClF
Aryl halideNitro

Properties

Molecular formula
C6H3ClFNO2
Molar mass
175.54 g/mol
Exact mass
174.9836 Da
Melting point
63–64 °C
Boiling point
114–116 °C (at 24 Torr)
logP
2.39Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
350-31-2
SMILES
O=[N+]([O-])c1ccc(Cl)c(F)c1
InChIKey
CSSSAKOGRYYMSA-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClFNO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

Weigh it out

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

Names and synonyms

2 names
  • Benzene, 1-chloro-2-fluoro-4-nitro-
  • 4-Chloro-3-fluoronitrobenzene

Work with 1-Chloro-2-fluoro-4-nitrobenzene

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-Difluoronitrobenzene369-34-668 % similar 1,2-Dichloro-4-nitrobenzene99-54-768 % similar 2,4-Dinitrochlorobenzene97-00-764 % similar 1-Chloro-2,3-difluoro-5-nitrobenzene53780-44-263 % similar 1-Chloro-2-methyl-4-nitrobenzene13290-74-960 % similar 2-Fluoro-1-methyl-4-nitrobenzene1427-07-260 % similar 2-Bromo-1-chloro-4-nitrobenzene16588-26-460 % similar 1-Bromo-2-fluoro-4-nitrobenzene185331-69-560 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-2-fluoro-3-nitrobenzene2106-49-2 2-Chloro-4-fluoro-1-nitrobenzene2106-50-5 2-Chloro-1-fluoro-3-nitrobenzene21397-07-9 1-Chloro-4-fluoro-2-nitrobenzene345-17-5 4-Chloro-1-fluoro-2-nitrobenzene345-18-6 3-Chloro-4-fluoronitrobenzene350-30-1 6-Chloro-5-fluoropyridine-3-carboxylic acid38186-86-6 2-Chloro-5-fluoronicotinic acid38186-88-8

Elsewhere

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