Basic information
- CAS
537-45-1- Standard SMILES
O=C1C(Br)=CC(=NCl)C=C1Br- InChIKey
JYWKEVKEKOTYEX-UHFFFAOYSA-N- Molecular formula
- C6H2Br2ClNO
- Average molar mass
- 299.35 g/mol
- Monoisotopic mass
- 296.81917
Names & identifiers
- Preferred name
- 2,6-Dibromoquinone-4-chlorimide
- IUPAC
- 2,6-dibromo-4-chloroiminocyclohexa-2,5-dien-1-one
- English name
- 2,6-DIBROMOQUINONE-4-CHLOROIMIDE
- Molecular formula
- C6H2Br2ClNO
- Molecular weight
- 299.35
Names & synonyms
537-45-12,6-Dibromoquinone-4-chloroimide2,6-Dibromo-4-(chloroimino)cyclohexa-2,5-dienoneBQC reagent2,6-Dibromoquinone-4-chlorimide2,6-Dibromoquinone chlorimide2,6-Dibromoquinone chloroimide2,6-Dibromoquinone chloroimine2,5-Cyclohexadien-1-one, 2,6-dibromo-4-(chloroimino)-N-Chloro-2,6-dibromoquinoneimine2,6-Dibromo-p-benzoquinone-4-chlorimineNSC 528
Show more names
BQCbqcreagentTIMTEC-BB SBB0088932,6-DIBROMOQUINONE-4DibroMoquinone-4-chloroiM2,6-DIBROMOQUINONECHLOROIMIDE2,6-dibromoquinonechloroimine2,6-Dibromoquinone-4-chlorimid
2,6-Dibromo-N-chloro-p-benzoquinoneimine2,6-Dibromoquinone 4-chlorimideEINECS 208-667-12,6-Dibromo-4-(chloroimino)-2,5-cyclohexadien-1-oneBRN 2094249H750J4PI0N4-Chloroimino-2,6-dibromo-2,5-cyclohexadiene-1-oneAI3-51570
Database identifiers
- CAS
537-45-1- PubChem CID
- 10835
- DTXSID
DTXSID1060215- ChEMBL
CHEMBL3276933- UNII
- H750J4PI0N
- EC Number
- 208-667-1
- Nikkaji
- J94.909D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 269
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 76 · 76-84 °C
- Boiling point
- 295.9 · 295.9±50.0 °C(Predicted)
- Density
- 2.1919 · 2.1919 (rough estimate)
- refractive index
- 1.611 · 1.6110 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- -4.72 · -4.72±0.20(Predicted)
- form
- Powder or Fine Crystalline Needles
- color
- Yellow to ochre
- Merck
- 14 · 14,3026
- BRN
- 2094249 · 2094249
- Stability
- Light Sensitive
- CAS DataBase Reference
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H240 (84.8%): Heating may cause an explosion [Danger Self-reactive substances and mixtures; Organic peroxides]
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, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2,5-Cyclohexadien-1-one, 2,6-dibromo-4-(chloroimino)-
2,5-Cyclohexadien-1-one, 2,6-dibromo-4-(chloroimino)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSelf-react. A (84.8%)
Safety data
- F
- 4.4
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GU5435000
- hs_code
- 29252900
- Toxicity
- LD50 intraperitoneal in mouse: 63mg/kg
- risk_code
- 5-20/21-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xn
- safety_code
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,5-Cyclohexadien-1-one, 2,6-dibromo-4-(chloroimino)-: ACTIVE
Applications
Uses2,6-Dibromoquinone-4-chloroimide is a reagent for the determination of phenols after TLC, organophosphorus compounds, and cyanides.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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