1-Chloro-2-fluoro-3-nitrobenzene

C₆H₃ClFNO₂CAS 2106-49-2175.54 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: 5 °C
Boiling point: 106 °C (at 5 Torr)
logP: 2.39Crippen 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 skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Identifiers

CAS number

2106-49-2

SMILES

O=[N+]([O-])c1cccc(Cl)c1F

InChIKey

RBAHXNSORRGCQA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzene, 1-chloro-2-fluoro-3-nitro-
3-Chloro-2-fluoronitrobenzene
2-Fluoro-3-chloronitrobenzene
NSC 190665

Work with 1-Chloro-2-fluoro-3-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

4-Chloro-2,3-difluoronitrobenzene169468-80-877 % similar 1,2-Difluoro-3-nitrobenzene6921-22-870 % similar 2-Nitrochlorobenzene88-73-369 % similar 1,3-Dichloro-2-fluoro-4-nitrobenzene393-79-367 % similar 3-Bromo-2-fluoronitrobenzene58534-94-466 % similar 2,3-Dichloronitrobenzene3209-22-165 % similar 2-Fluoro-3-nitrophenol179816-26-364 % similar 2-Fluoro-1-methyl-3-nitrobenzene437-86-564 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 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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