Basic information
- CAS
139926-25-3- Standard SMILES
CCc1ccc(NC2=C(Cl)C(=O)C(Nc3ccc(CC)cc3)=C(Cl)C2=O)cc1- InChIKey
GJXUNHJGLVWDHU-UHFFFAOYSA-N- Molecular formula
- C22H20Cl2N2O2
- Average molar mass
- 415.3 g/mol
- Monoisotopic mass
- 414.0901833
Names & identifiers
- Preferred name
- 2,5-Dichloro-3,6-bis((4-ethylphenyl)amino)-2,5-cyclohexadiene-1,4-dione
- IUPAC
- 2,5-dichloro-3,6-bis(4-ethylanilino)cyclohexa-2,5-diene-1,4-dione
- English name
- 2,5-Bis(4-ethylanilino)-3,6-dichloro-1,4-benzoquinone
- Molecular formula
- C22H20Cl2N2O2
- Molecular weight
- 415.31
Names & synonyms
139926-25-32,5-Dichloro-3,6-bis[(4-ethylphenyl)amino]-2,5-cyclohexadiene-1,4-dione2,5-Dichloro-3,6-bis((4-ethylphenyl)amino)-2,5-cyclohexadiene-1,4-dioneRefChem:2473192,5-Dichloro-3,6-bis((4-ethylphenyl)amino)cyclohexa-2,5-diene-1,4-dioneSCHEMBL95605352,5-dichloro-3,6-bis(4-ethylanilino)benzo-1,4-quinoneDTXSID8011520322,5-dichloro-3,6-bis(4-ethylanilino)cyclohexa-2,5-diene-1,4-dioneAKOS0244316142,5-Bis(4-ethylanilino)-3,6-dichloro-1,4-benzoquinone2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-bis[(4-ethylphenyl)amino]-
Database identifiers
- CAS
139926-25-3- PubChem CID
- 3606217
- DTXSID
DTXSID801152032- EC Number
- 666-095-1
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 612
Physicochemical properties
- Boiling point
- 514.1 · 514.1±50.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- -2.87 · -2.87±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H413
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, P273, 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319-H413
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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