2,6-Dichloroquinone-4-chloroimide

C₆H₂Cl₃NOCAS 101-38-2210.44 g/mol

Open in Covalent MOL file

Alkene Imine Ketone Vinyl halide

Properties

Molecular formula: C₆H₂Cl₃NO
Molar mass: 210.44 g/mol
Exact mass: 208.9202 Da
Melting point: 66 °C
logP: 2.41Crippen estimate
Polar surface area: 29.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H242 Heating may cause a fire95.2% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P234, P235, P240, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P410, P411, P420, P501

Identifiers

CAS number

101-38-2

SMILES

O=C1C(Cl)=CC(=NCl)C=C1Cl

InChIKey

YHUMTHWQGWPJOQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl3NO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H

Weigh it out

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

Names and synonyms

19 names · show all

2,5-Cyclohexadien-1-one, 2,6-dichloro-4-(chloroimino)-
p-Benzoquinone imine, N,2,6-trichloro-
2,6-Dichloro-4-(chloroimino)-2,5-cyclohexadien-1-one
Gibbs' reagent
N,2,6-Trichlorobenzoquinone imine
2,6-Dichloroquinone chloroimide
2,6-Dichloroquinone-4-chloroimine
2,6-Dichloro-4-N-chloroquinonimine
N,2,6-Trichloro-p-benzoquinoneimine
2,6-Dichlorobenzoquinone chloroimide
N,2,6-Trichloro-p-benzoquinonimine
2,6-Dichloroquinonechloroimine
Named reagents and solutions, Gibbs'
2,6-Dichloroquinone chlorimide
2,6-Dichloro-p-benzoquinone-4-chlorimide
2,6-Dichlorobenzoquinone-4-chloroimine
2,6-Dichlorobenzoquinone N-chloroimine
NSC 6293
2,6-Dichloro-4-(chloroimino)cyclohexa-2,5-dienone

Work with 2,6-Dichloroquinone-4-chloroimide

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

2,6-Dibromoquinonechlorimide537-45-154 % similar 2,6-Dichloro-1,4-benzoquinone697-91-652 % similar 2,6-Dichloroindophenol sodium620-45-141 % similar 2,5-Dichloro-1,4-benzoquinone615-93-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dichloro-isonicotinoyl chloride42521-08-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia