Basic information
- CAS
195532-11-7- Standard SMILES
COc1ccc(C2=C(Br)C(=O)C(c3ccc(OC)cc3)=C(Br)C2=O)cc1- InChIKey
ZEJKRTFDZAJERK-UHFFFAOYSA-N- Molecular formula
- C20H14Br2O4
- Average molar mass
- 478.1 g/mol
- Monoisotopic mass
- 475.92588
Names & identifiers
- Preferred name
- 2,5-Bis(4-methoxyphenyl)-3,6-dibromo-1,4-benzoquinone
- IUPAC
- 2,5-dibromo-3,6-bis(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione
- English name
- 2,5-Cyclohexadiene-1,4-dione, 2,5-dibromo-3,6-bis(4-methoxyphenyl)-
- Molecular formula
- C20H14Br2O4
- Molecular weight
- 478.13
Names & synonyms
NSC159607AKOS024434647NSC-1596072,5-BIS(4-METHOXYPHENYL)-3,6-DIBROMO-1,4-BENZOQUINONE2,5-Cyclohexadiene-1,4-dione, 2,5-dibromo-3,6-bis(4-methoxyphenyl)-
Database identifiers
- CAS
195532-11-7- PubChem CID
- 293261
- EC Number
- 118-736-7
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Melting point
- 282 · 282-283 °C (decomp)
- Boiling point
- 567.9 · 567.9±50.0 °C(Predicted)
- Density
- 1.688 · 1.688±0.06 g/cm3(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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