3-Chloro-4-fluoronitrobenzene

C₆H₃ClFNO₂CAS 350-30-1175.54 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₃ClFNO₂
Molar mass: 175.54 g/mol
Exact mass: 174.9836 Da
Melting point: 41.5 °C
Boiling point: 92–93 °C (at 7.5 Torr)
logP: 2.39Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed12.5% of notifiers
H302 Harmful if swallowed87.5% of notifiers
H311 Toxic in contact with skin12.5% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage85.4% of notifiers
H319 Causes serious eye irritation14.6% of notifiers
H335 May cause respiratory irritation89.6% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure12.5% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

350-30-1

SMILES

O=[N+]([O-])c1ccc(F)c(Cl)c1

InChIKey

DPHCXXYPSYMICK-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H

Weigh it out

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

Names and synonyms

8 names

Benzene, 2-chloro-1-fluoro-4-nitro-
2-Chloro-1-fluoro-4-nitrobenzene
1-Chloro-2-fluoro-5-nitrobenzene
3-Chloro-4-fluoro-1-nitrobenzene
NSC 163894
4-Fluoro-3-chloronitrobenzene
1-Fluoro-2-chloro-4-nitrobenzene
2-Chloro-4-nitrofluorobenzene

Work with 3-Chloro-4-fluoronitrobenzene

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 1-Fluoro-2,4-dinitrobenzene70-34-864 % similar 1-Chloro-2,3-difluoro-5-nitrobenzene53780-44-263 % similar 1,3-Dichloro-2-fluoro-5-nitrobenzene3107-19-561 % similar 2-Chloro-4-nitrotoluene121-86-860 % similar 2-Chloro-4-nitroaniline121-87-960 % similar 1-Bromo-2-chloro-4-nitrobenzene29682-39-160 % 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 1-Chloro-2-fluoro-4-nitrobenzene350-31-2 6-Chloro-5-fluoropyridine-3-carboxylic acid38186-86-6 2-Chloro-5-fluoronicotinic acid38186-88-8

Elsewhere

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