2,6-Dibromoquinonechlorimide

C₆H₂Br₂ClNOCAS 537-45-1299.35 g/mol

Open in Covalent MOL file

Alkene Imine Ketone Vinyl halide

Properties

Molecular formula: C₆H₂Br₂ClNO
Molar mass: 299.35 g/mol
Exact mass: 296.8192 Da
Melting point: 83 °C
logP: 2.72Crippen estimate
Polar surface area: 29.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H240 Heating may cause an explosion84.8% of notifiers
H312 Harmful in contact with skin89.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P372+P380+P373, P403, P403+P233, P405, P410, P411, P420, P501

Identifiers

CAS number

537-45-1

SMILES

O=C1C(Br)=CC(=NCl)C=C1Br

InChIKey

JYWKEVKEKOTYEX-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Br2ClNO/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

16 names · show all

2,5-Cyclohexadien-1-one, 2,6-dibromo-4-(chloroimino)-
p-Benzoquinone imine, 2,6-dibromo-N-chloro-
2,6-Dibromo-4-(chloroimino)-2,5-cyclohexadien-1-one
BQC reagent
4-(Chloroimino)-2,6-dibromo-2,5-cyclohexadien-1-one
2,6-Dibromo-1,4-benzoquinone-4-chlorimide
2,6-Dibromo-N-chloro-p-benzoquinoneimine
2,6-Dibromoquinone chloroimine
N-Chloro-2,6-dibromoquinoneimine
2,6-Dibromoquinone chlorimide
2,6-Dibromoquinone-4-chlorimide
2,6-Dibromoquinone chloroimide
2,6-Dibromoquinone-4-chloroimide
2,6-Dibromoquinone-4-chloroimine
NSC 528
2,6-Dibromo-4-(chloroimino)cyclohexa-2,5-dienone

Reactions

2,6-DIBROMOQUINONE-4-CHLOROIMIDE (Quinonimine, 2,6-dibromo-N-chloro-)product

Work with 2,6-Dibromoquinonechlorimide

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-Dichloroquinone-4-chloroimide101-38-254 % similar 2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one20244-61-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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