2-Chloro-1-fluoro-3-nitrobenzene
Properties
- Molecular formula
- C6H3ClFNO2
- Molar mass
- 175.54 g/mol
- Exact mass
- 174.9836 Da
- Boiling point
- 237–239 °C
- logP
- 2.39Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
21397-07-9SMILES
O=[N+]([O-])c1cccc(F)c1ClInChIKey
NJZSQTMICFLABM-UHFFFAOYSA-NInChI
InChI=1S/C6H3ClFNO2/c7-6-4(8)2-1-3-5(6)9(10)11/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzene, 2-chloro-1-fluoro-3-nitro-
- 2-Chloro-3-fluoronitrobenzene
Work with 2-Chloro-1-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Chloro-1,3-dinitrobenzene606-21-371 % similar
1,2-Difluoro-3-nitrobenzene6921-22-868 % similar
1-Fluoro-2-nitrobenzene1493-27-267 % similar
2-Chloro-3,4-difluoro-1-nitrobenzene169468-83-165 % similar
2-Chloro-1,3-difluoro-4-nitrobenzene3847-58-365 % similar
2,3-Dichloronitrobenzene3209-22-163 % similar
2-Fluoro-6-nitrophenol1526-17-662 % similar
2-Fluoro-6-nitrobenzenamine17809-36-862 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
1-Chloro-2-fluoro-3-nitrobenzene2106-49-2
2-Chloro-4-fluoro-1-nitrobenzene2106-50-5
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