2-Chloro-4-fluoro-1-nitrobenzene
Properties
- Molecular formula
- C6H3ClFNO2
- Molar mass
- 175.54 g/mol
- Exact mass
- 174.9836 Da
- Melting point
- 37.25 °C
- Boiling point
- 238.5 °C
- logP
- 2.39Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed18.2% of notifiers
- H302 Harmful if swallowed72.7% of notifiers
- H311 Toxic in contact with skin63.6% of notifiers
- H312 Harmful in contact with skin27.3% of notifiers
- H315 Causes skin irritation90.9% of notifiers
- H319 Causes serious eye irritation90.9% of notifiers
- H332 Harmful if inhaled27.3% of notifiers
- H335 May cause respiratory irritation36.4% of notifiers
Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2106-50-5SMILES
O=[N+]([O-])c1ccc(F)cc1ClInChIKey
KQOOFMWRLDRDAX-UHFFFAOYSA-NInChI
InChI=1S/C6H3ClFNO2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzene, 2-chloro-4-fluoro-1-nitro-
- 2-Chloro-4-fluoronitrobenzene
- 3-Chloro-4-nitrofluorobenzene
- 1-Fluoro-3-chloro-4-nitrobenzene
- 2-Fluoro-4-chloronitrobenzene
Work with 2-Chloro-4-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4-Fluoro-1,2-dinitrobenzene364-53-470 % similar
2,4-Difluoronitrobenzene446-35-564 % similar
2,4-Dichloronitrobenzene611-06-364 % similar
2-Chloro-4-methyl-1-nitrobenzene38939-88-762 % similar
2,5-Difluoronitrobenzene364-74-961 % similar
5-Fluoro-2-nitrobenzenamine2369-11-160 % similar
4-Fluoro-2-methyl-1-nitrobenzene446-33-360 % similar
5-Fluoro-2-nitrophenol446-36-660 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
1-Chloro-2-fluoro-3-nitrobenzene2106-49-2
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