3-Chloro-5-iodophenol

C₆H₄ClIOCAS 861347-86-6254.45 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₄ClIO
Molar mass: 254.45 g/mol
Exact mass: 253.8995 Da
logP: 2.65Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

861347-86-6

SMILES

C1=C(C=C(C=C1Cl)I)O

InChIKey

QBNIBNUEBBJVFN-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClIO/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

Weigh it out

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

Work with 3-Chloro-5-iodophenol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dichloro-5-iodobenzene3032-81-364 % similar 3,5-Dichlorophenol591-35-564 % similar 1-Bromo-3-chloro-5-iodobenzene13101-40-150 % similar 3-Chloro-5-fluorophenol202982-70-550 % similar 3-Bromo-5-chlorophenol56962-04-050 % similar 3-Iodophenol626-02-848 % similar 3-Chloro-5-hydroxybenzonitrile473923-97-645 % similar 3-Chloro-5-hydroxybenzotrifluoride570391-18-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2-iodophenol71643-66-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook