2-Chloro-1,3-difluoro-4-nitrobenzene

C₆H₂ClF₂NO₂CAS 3847-58-3193.53 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₂ClF₂NO₂
Molar mass: 193.53 g/mol
Exact mass: 192.9742 Da
logP: 2.53Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 609-057-00-1), via PubChem.

Precautionary statements

P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P391, P405, P501

Identifiers

CAS number

3847-58-3

SMILES

O=[N+]([O-])c1ccc(F)c(Cl)c1F

InChIKey

CTVBVNKEMCGZDF-UHFFFAOYSA-N

InChI

InChI=1S/C6H2ClF2NO2/c7-5-3(8)1-2-4(6(5)9)10(11)12/h1-2H

Weigh it out

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

Names and synonyms

5 names

Benzene, 2-chloro-1,3-difluoro-4-nitro-
2,4-Difluoro-3-chloronitrobenzene
3-Chloro-2,4-difluoronitrobenzene
NSC 10241
3-Chloro-2,4-difluoro-1-nitrobenzene

Work with 2-Chloro-1,3-difluoro-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

1,2,3-Trifluoro-4-nitrobenzene771-69-769 % similar 2-Chloro-1-fluoro-3-nitrobenzene21397-07-965 % similar 1,2-Difluoro-3-nitrobenzene6921-22-864 % similar 1,3-Dichloro-2-fluoro-4-nitrobenzene393-79-361 % similar 1,3-Difluoro-2-methyl-4-nitrobenzene79562-49-561 % similar 1-Chloro-2-fluoro-3-nitrobenzene2106-49-257 % similar 1,3-Dichloro-2,4-difluoro-5-nitrobenzene15952-70-257 % similar 2,3-Difluoro-6-nitroaniline211693-73-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-1 4-Chloro-2,3-difluoronitrobenzene169468-80-8 2-Chloro-3,4-difluoro-1-nitrobenzene169468-83-1 1-Chloro-2,3-difluoro-5-nitrobenzene53780-44-2

Elsewhere

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