4-Chloro-1-fluoro-2-nitrobenzene

C₆H₃ClFNO₂CAS 345-18-6175.54 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: 10.2 °C
Boiling point: 236.6–236.9 °C
logP: 2.39Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

345-18-6

SMILES

O=[N+]([O-])c1cc(Cl)ccc1F

InChIKey

DIAWBHLTWNWYGR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

Benzene, 4-chloro-1-fluoro-2-nitro-
5-Chloro-2-fluoronitrobenzene
2-Fluoro-5-chloronitrobenzene
2-Fluoro-5-chloro-1-nitrobenzene
1-Fluoro-4-chloro-2-nitrobenzene
3-Chloro-6-fluoro-1-nitrobenzene

Work with 4-Chloro-1-fluoro-2-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

4-Chloro-2-fluoro-1-nitrobenzene700-37-875 % similar 4-Chloro-1,2-dinitrobenzene610-40-268 % similar 2,5-Difluoronitrobenzene364-74-966 % similar 1-Fluoro-2,4-dinitrobenzene70-34-864 % similar 1,4-Dichloro-2-nitrobenzene89-61-264 % similar 4-Fluoro-3-nitrophenol2105-96-660 % similar 4-Bromo-1-fluoro-2-nitrobenzene364-73-860 % similar 1-Fluoro-4-iodo-2-nitrobenzene364-75-060 % 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 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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