4-Chloro-2-fluoro-1-nitrobenzene

C₆H₃ClFNO₂CAS 700-37-8175.54 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: 48–49 °C
logP: 2.39Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled20% of notifiers
H302 Harmful if swallowed60% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation80% of notifiers
H318 Causes serious eye damage20% of notifiers
H319 Causes serious eye irritation60% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

700-37-8

SMILES

O=[N+]([O-])c1ccc(Cl)cc1F

InChIKey

PTCPUGKKWNMITF-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

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

Work with 4-Chloro-2-fluoro-1-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-1,2-dinitrobenzene610-40-268 % similar 2,4-Difluoronitrobenzene446-35-564 % similar 2,4-Dichloronitrobenzene611-06-364 % similar 5-Chloro-2-nitroaniline1635-61-660 % similar 3-Fluoro-4-nitrobenzenamine2369-13-360 % similar 4-Bromo-2-fluoro-1-nitrobenzene321-23-360 % similar 3-Fluoro-4-nitrophenol394-41-260 % similar 2-Fluoro-4-methyl-1-nitrobenzene446-34-460 % 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 1-Chloro-2-fluoro-4-nitrobenzene350-31-2 6-Chloro-5-fluoropyridine-3-carboxylic acid38186-86-6

Elsewhere

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