1,2-Dichloro-4-fluoro-5-nitrobenzene

C₆H₂Cl₂FNO₂CAS 2339-78-8209.99 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₂Cl₂FNO₂
Molar mass: 209.99 g/mol
Exact mass: 208.9447 Da
Melting point: 17 °C
Boiling point: 247 °C
logP: 3.04Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin97.6% of notifiers
H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H332 Harmful if inhaled97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2339-78-8

SMILES

O=[N+]([O-])c1cc(Cl)c(Cl)cc1F

InChIKey

FXOCDIKCKFOUDE-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl2FNO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H

Weigh it out

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

Names and synonyms

7 names

Benzene, 1,2-dichloro-4-fluoro-5-nitro-
2-Fluoro-4,5-dichloronitrobenzene
4,5-Dichloro-2-fluoronitrobenzene
3,4-Dichloro-6-fluoro-1-nitrobenzene
4,5-Dichloro-2-fluoro-1-nitrobenzene
4,5-Dichloro-1-fluoro-2-nitrobenzene
2-Fluoro-4,5-dichloro-1-nitrobenzene

Work with 1,2-Dichloro-4-fluoro-5-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-183 % similar 2-Chloro-4-fluoro-5-nitrotoluene112108-73-373 % similar 2-Chloro-4-fluoro-5-nitrophenol84478-75-173 % similar 2-Chloro-4-fluoro-5-nitrobenzaldehyde99329-85-869 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-468 % similar 1-Chloro-5-fluoro-2-methoxy-4-nitrobenzene84478-76-267 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-566 % similar 2,4,5-Trichloronitrobenzene89-69-066 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Dichloro-2-fluoro-5-nitrobenzene3107-19-5 1,3-Dichloro-2-fluoro-4-nitrobenzene393-79-3 2,6-Dichloro-5-fluoronicotinic acid82671-06-5 2,6-Dichloro-5-fluoronicotinic acid8271-06-5

Elsewhere

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