1-Chloro-4-iodobenzene
Properties
- Molecular formula
- C6H4ClI
- Molar mass
- 238.45 g/mol
- Exact mass
- 237.9046 Da
- Melting point
- 57 °C
- Boiling point
- 227 °C
- logP
- 2.94Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed87.8% of notifiers
- H312 Harmful in contact with skin87.8% of notifiers
- H315 Causes skin irritation14.3% of notifiers
- H319 Causes serious eye irritation14.3% of notifiers
- H332 Harmful if inhaled87.8% of notifiers
- H335 May cause respiratory irritation14.3% of notifiers
Aggregated from 49 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
637-87-6SMILES
Clc1ccc(I)cc1InChIKey
GWQSENYKCGJTRI-UHFFFAOYSA-NInChI
InChI=1S/C6H4ClI/c7-5-1-3-6(8)4-2-5/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Benzene, 1-chloro-4-iodo-
- p-Chloroiodobenzene
- p-Iodochlorobenzene
- 4-Chloroiodobenzene
- 4-Iodochlorobenzene
- 4-Chloro-1-iodobenzene
- p-Iodophenyl chloride
- p-Chlorophenyl iodide
- 4-Chlorophenyl iodide
- NSC 32862
- 4-Iodo-1-chlorobenzene
Work with 1-Chloro-4-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
1,4-Dichlorobenzene106-46-760 % similar
1,4-Diiodobenzene624-38-460 % similar
4,4''-Diiodo-P-terphenyl19053-14-650 % similar
4,4′-Dichlorobiphenyl2050-68-250 % similar
4,4'-Diiodo-1,1'-biphenyl3001-15-850 % similar
1,3-Dichloro-5-iodobenzene3032-81-350 % similar
Tris(4-iodophenyl)amine4181-20-850 % similar
5-Chloro-2-iodopyridine244221-57-646 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.