2,5-Diamino-3,6-dichloro-1,4-benzoquinone
Basic information
- CAS
3908-48-3- Standard SMILES
NC1=C(Cl)C(=O)C(N)=C(Cl)C1=O- InChIKey
QLHPOTDBWHTTBM-UHFFFAOYSA-N- Molecular formula
- C6H4Cl2N2O2
- Average molar mass
- 207.01 g/mol
- Monoisotopic mass
- 205.9649828
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,5-Diamino-3,6-dichloro-1,4-benzoquinone
- IUPAC
- 2,5-diamino-3,6-dichlorocyclohexa-2,5-diene-1,4-dione
- English name
- 2,5-diamino-3,6-dichloro-p-benzoquinone
- Molecular formula
- C6H4Cl2N2O2
- Molecular weight
- 207.01
Names & synonyms
2,5-diamino-3,6-dichloro-1,4-benzoquinoneRefChem:8579933908-48-32,5-diamino-3,6-dichlorocyclohexa-2,5-diene-1,4-dionep-Benzoquinone, 2,5-diamino-3,6-dichloro-2,5-Diamino-3,6-dichloro-p-benzoquinone2,5-Cyclohexadiene-1,4-dione, 2,5-diamino-3,6-dichloro-EINECS 223-465-3NSC 75102NSC75102starbld00250283,6-Dichloro-2,5-diamino-1,4-benzoquinone
Show more names
2,5-Dichloro-3,6-diamino-1,4-benzoquinone2,5-bis(azanyl)-3,6-dichloro-cyclohexa-2,5-diene-1,4-dione
NCIOpen2_004689SCHEMBL5158567CHEMBL3274888DTXSID50192328QLHPOTDBWHTTBM-UHFFFAOYSA-NWLN: L6V DVJ BZ CG EZ FGMFCD00193026NSC-75102
Database identifiers
- CAS
3908-48-3- PubChem CID
- 77512
- DTXSID
DTXSID50192328- ChEMBL
CHEMBL3274888- EC Number
- 223-465-3
- Nikkaji
- J65.480I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 309
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 411 · H411-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 104 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 CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- Hazard statements
- H411-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Suppliers
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Related reactions
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Compound notes
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