2,5-Bis(3-methylanilino)-3,6-dichloro-1,4-benzoquinone
Basic information
- CAS
34618-60-5- Standard SMILES
Cc1cccc(NC2=C(Cl)C(=O)C(Nc3cccc(C)c3)=C(Cl)C2=O)c1- InChIKey
USMIDWWCETVGQQ-UHFFFAOYSA-N- Molecular formula
- C20H16Cl2N2O2
- Average molar mass
- 387.3 g/mol
- Monoisotopic mass
- 386.0588831
Names & identifiers
- Preferred name
- 2,5-Bis(3-methylanilino)-3,6-dichloro-1,4-benzoquinone
- IUPAC
- 2,5-dichloro-3,6-bis(3-methylanilino)cyclohexa-2,5-diene-1,4-dione
Names & synonyms
34618-60-5RefChem:4441012,5-bis(3-methylanilino)-3,6-dichloro-1,4-benzoquinone666-365-92,5-Dichloro-3,6-bis(m-tolylamino)cyclohexa-2,5-diene-1,4-dioneAKOS0244317562,5-dichloro-3,6-di(3-toluidino)benzo-1,4-quinone
Database identifiers
- CAS
34618-60-5- PubChem CID
- 4188941
- EC Number
- 666-365-9
- Nikkaji
- J387.782E
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 600
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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