Basic information
- CAS
4622-04-2- Standard SMILES
N#CC1=C(C#N)C(=O)C=CC1=O- InChIKey
DNXUGBMARDFRGG-UHFFFAOYSA-N- Molecular formula
- C8H2N2O2
- Average molar mass
- 158.11 g/mol
- Monoisotopic mass
- 158.01162731
Names & identifiers
- Preferred name
- 2,3-Dicyano-p-benzoquinone
- IUPAC
- 3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
- English name
- 2,3-DICYANO-1,4-BENZOQUINONE
- Molecular formula
- C8H2N2O2
- Molecular weight
- 158.11
Names & synonyms
4622-04-22,3-DICYANO-1,4-BENZOQUINONE3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile2,3-Dicyano-p-benzoquinone1,4-Cyclohexadiene-1,2-dicarbonitrile, 3,6-dioxo-U2PQF7HK64EINECS 225-037-1DTXSID40635373,6-DIOXO-1,4-CYCLOHEXADIENE-1,2-DICARBONITRILERefChem:442077DTXCID3040481225-037-1
Show more names
2,3-Dicyano-p-quinoneUNII-U2PQF7HK64SCHEMBL1393186DNXUGBMARDFRGG-UHFFFAOYSA-NNS00031591
Database identifiers
- CAS
4622-04-2- PubChem CID
- 78362
- DTXSID
DTXSID4063537- UNII
- U2PQF7HK64
- EC Number
- 225-037-1
- Nikkaji
- J1.826.653I、J80.864D
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Melting point
- 178 · 178-180 °C
- Boiling point
- 260.2 · 260.2±40.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- FDA UNII
- 2 PQF7HK64 · U2PQF7HK64
- EPA Substance Registry System
- 1 · 1,4-Cyclohexadiene-1,2-dicarbonitrile, 3,6-dioxo- (4622-04-2)
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H331-H301-H335-H319-H400
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
- TSCA
- TSCA listed
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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 CategoriesAcute Tox. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- Hazard statements
- H315-H331-H301-H335-H319-H400
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Cyclohexadiene-1,2-dicarbonitrile, 3,6-dioxo-: INACTIVE
Suppliers3 total
BOC Sciences+1-631-485-4226 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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