Basic information
- CAS
363-03-1- Standard SMILES
O=C1C=CC(=O)C(c2ccccc2)=C1- InChIKey
RLQZIECDMISZHS-UHFFFAOYSA-N- Molecular formula
- C12H8O2
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.05242949
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Phenyl-1,4-benzoquinone
- IUPAC
- 2-phenylcyclohexa-2,5-diene-1,4-dione
- English name
- Phenyl-p-benzoquinone
- Molecular formula
- C12H8O2
- Molecular weight
- 184.19
Names & synonyms
363-03-1PhenylbenzoquinonePhenyl-1,4-benzoquinone2-Phenylbenzoquinone2,5-Cyclohexadiene-1,4-dione, 2-phenyl-2-Phenyl-p-benzoquinoneo-Phenylbenzoquinonep-Benzoquinone, 2-phenyl-p-BENZOQUINONE, PHENYL-2-Phenyl-2,5-cyclohexadiene-1,4-dioneKNB6553J7RDTXSID3059892
Show more names
PHENYL-P-QUINONETFIIH Modulator-19phenyl-p-benzoquinon2-phenyl-1,4-benzene
phenyl-4-quinonePpBQ cpdRefChem:861716DTXCID9039153Phenyl-p-benzoquinonePhenylquinone2-Phenyl-1,4-benzoquinone[1,1'-Biphenyl]-2,5-dione
Database identifiers
- CAS
363-03-1- PubChem CID
- 9688
- DTXSID
DTXSID3059892- ChEMBL
CHEMBL274117- UNII
- KNB6553J7R
- EC Number
- 206-654-5
- Nikkaji
- J20.398J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 317
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP1.95
Physicochemical properties
- Melting point
- 111 · 111-115 °C
- Boiling point
- 278.14 °C · 278.14°C (rough estimate)
- Density
- 1.1336 · 1.1336 (rough estimate)
- refractive index
- 1.6086 · 1.6086 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- Chunks and Powder
- color
- Yellow-brown
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6553 J7R · KNB6553J7R
- EPA Substance Registry System
- 2 · 2,5-Cyclohexadiene-1,4-dione, 2-phenyl- (363-03-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- rtecs
- DK6650000
- hs_code
- 29146990
- Toxicity
- dnd-rat-par 50 mg/L JJCREP78,1027,87
- risk_code
- 36/37/38-42/43-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 37/39-26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,5-Cyclohexadiene-1,4-dione, 2-phenyl-: INACTIVE
Applications
UsesPhenylquinone is used for small molecule-based targeting of TTD-A dimerization to control TFIIH transcriptional activity whichrepresents a potential strategy for anticancer therapy.
Suppliers58 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
BOC Sciences
Related reactions
2 records
Compound notes
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