Basic information
- CAS
488-48-2- Standard SMILES
O=C1C(Br)=C(Br)C(=O)C(Br)=C1Br- InChIKey
LWHDQPLUIFIFFT-UHFFFAOYSA-N- Molecular formula
- C6Br4O2
- Average molar mass
- 423.68 g/mol
- Monoisotopic mass
- 419.66318
Overview
structure in first source
Names & identifiers
- Preferred name
- Bromanil
- IUPAC
- 2,3,5,6-tetrabromocyclohexa-2,5-diene-1,4-dione
- English name
- Bromanil
- Molecular formula
- C6Br4O2
- Molecular weight
- 423.68
Names & synonyms
Bromanil488-48-22,3,5,6-tetrabromocyclohexa-2,5-diene-1,4-dioneBromanylTetrabromo-p-benzoquinoneTetrabromoquinoneTetrabromobenzoquinoneDTXSID20197608RefChem:917590DTXCID40120099207-679-4Tetrabromo-1,4-benzoquinone
Show more names
BNSC 36927
p-Bromanilp-BromoanilTetrabromo-p-quinone2,3,5,6-Tetrabromo-1,4-benzoquinoneMFCD00013785p-Quinone, tetrabromo-p-Benzoquinone, tetrabromo-2,3,5,6-Tetrabromo-p-benzoquinone
Database identifiers
- CAS
488-48-2- PubChem CID
- 68101
- DTXSID
DTXSID20197608- EC Number
- 207-679-4
- Nikkaji
- J6.031C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 277
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aromatic Ketones, Halogenated
SpringerMaterials PropertiesCrystal structure
Physical DescriptionYellow crystalline powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 292 · 292-294 °C(lit.)
- Boiling point
- 340.5 · 340.5±42.0 °C(Predicted)
- Density
- 3.127 · 3.127±0.06 g/cm3(Predicted)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Acetone (Slightly), DMSO (Slightly)
- form
- Crystalline Powder
- color
- Yellow
- BRN
- 1912183 · 1912183
- Stability
- Light Sensitive
- InChI
- InChI=1S/C6Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrabromo-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal lethal-dose (mouse) >500 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Chloranil.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- rtecs
- DK6772500
- hs_code
- 29147000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesA halogenated benxoquinone that is an effective inhibitor of photosynthetic electron transport through the spinach photosystem II and the cytochrome b6/f-complex.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers93 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
1 records
Compound notes
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