Basic information
- CAS
844-51-9- Standard SMILES
O=C1C=C(c2ccccc2)C(=O)C=C1c1ccccc1- InChIKey
QYXHDJJYVDLECA-UHFFFAOYSA-N- Molecular formula
- C18H12O2
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.08372962
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,5-Diphenyl-2,5-cyclohexadiene-1,4-dione
- IUPAC
- 2,5-diphenylcyclohexa-2,5-diene-1,4-dione
- English name
- 2,5-Diphenyl-p-benzoquinone
- Molecular formula
- C18H12O2
- Molecular weight
- 260.29
Names & synonyms
844-51-92,5-Diphenyl-1,4-benzoquinone2,5-Diphenyl-p-benzoquinone2,5-Diphenyl-4-benzoquinone2,5-Cyclohexadiene-1,4-dione, 2,5-diphenyl-p-Benzoquinone, 2,5-diphenyl-diphenyl-p-benzoquinone19F7OO1LXRSTEARER DPQNSC-8725DTXSID90612072,5-DIPHENYL-2,5-CYCLOHEXADIENE-1,4-DIONE
Show more names
DIPHENOQUINONE2,5-DIPHENYL-P-QUINONE2,5-Diphenyl-1,4-benzoquinon2,5-Diphenyl-p-benzoquinone, 98+%
RefChem:889134DTXCID2048404212-680-82,5-Diphenylquinone2,5-diphenylcyclohexa-2,5-diene-1,4-dione[1,1':4',1''-Terphenyl]-2',5'-dioneMFCD000016002,5-Diphenylbenzoquinone
Database identifiers
- CAS
844-51-9- PubChem CID
- 70055
- DTXSID
DTXSID9061207- ChEMBL
CHEMBL1762559- UNII
- 19F7OO1LXR
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Melting point
- 215 · 215-217°C
- Boiling point
- 457.9 · 457.9±45.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- solubility
- Soluble in hot Toluene (almost transparency).
- form
- powder to crystal
- color
- Light yellow to Yellow to Orange
- BRN
- 2051812 · 2051812
- Stability
- Stability
- InChI
- InChI=1S/C18H12O2/c19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13/h1-12H
- InChIKey
- QYXHDJJYVDLECA-UHFFFAOYSA-N
- SMILES
- C1(=O)C=C(C2=CC=CC=C2)C(=O)C=C1C1=CC=CC=C1
- CAS DataBase Reference
- 844 · 844-51-9(CAS DataBase Reference)
- FDA UNII
- 19 F7OO1LXR · 19F7OO1LXR
- EPA Substance Registry System
- 2 · 2,5-Cyclohexadiene-1,4-dione, 2,5-diphenyl- (844-51-9)
- Symbol(GHS)
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
H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2,5-Cyclohexadiene-1,4-dione, 2,5-diphenyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2914.69.9000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,5-Cyclohexadiene-1,4-dione, 2,5-diphenyl-: INACTIVE
Applications
Uses2,5-Diphenyl-p-benzoquinone is used as pharmaceutical intermediate.
Suppliers79 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]
医格尔（上海）药业有限公司+86-2160290089 +86-13884467586 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Related reactions
1 records
Compound notes
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