4-Chloro-2-fluoro-1-iodobenzene
Properties
- Molecular formula
- C6H3ClFI
- Molar mass
- 256.44 g/mol
- Exact mass
- 255.8952 Da
- Boiling point
- 206 °C
- logP
- 3.08Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation95.8% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
6797-79-1SMILES
Fc1cc(Cl)ccc1IInChIKey
RSTFBOIFYXJIMR-UHFFFAOYSA-NInChI
InChI=1S/C6H3ClFI/c7-4-1-2-6(9)5(8)3-4/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzene, 4-chloro-2-fluoro-1-iodo-
- 4-Chloro-2-fluoroiodobenzene
- 2-Fluoro-4-chloroiodobenzene
Work with 4-Chloro-2-fluoro-1-iodobenzene
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-1,2-difluorobenzene696-02-660 % similar
4-Chloro-2-fluoro-1-methylbenzene452-75-557 % similar
1,4-Diiodo-2-fluorobenzene147808-02-456 % similar
2,4-Difluoro-1-iodobenzene2265-93-256 % similar
2,4-Dichloro-1-iodobenzene29898-32-656 % similar
2,5-Dichlorofluorobenzene348-59-456 % similar
4-Chloro-1-iodo-2-methylbenzene23399-70-454 % similar
4-Bromo-2-fluoro-1-iodobenzene105931-73-552 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.