Basic information
- CAS
2582-42-5- Standard SMILES
O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1Cl- InChIKey
NGPKWSXWCZCEDU-UHFFFAOYSA-N- Molecular formula
- C12H6Cl3NO2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 300.946412
Names & identifiers
- Preferred name
- 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-[(3-chloro-4-hydroxyphenyl)imino]-
- IUPAC
- 2-chloro-4-(3,5-dichloro-4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one
- English name
- 2,6-Dichloro-4-[(3-chloro-4-hydroxyphenyl)imino]-2,5-cyclohexadien-1-one
- Molecular formula
- C12H6Cl3NO2
- Molecular weight
- 302.54
Names & synonyms
2,3',6-Trichloroindophenol2,5-Cyclohexadien-1-one, 2,6-dichloro-4-[(3-chloro-4-hydroxyphenyl)imino]-DTXSID70625382,5-Cyclohexadien-1-one, 2,6-dichloro-4-((3-chloro-4-hydroxyphenyl)imino)-RefChem:444156DTXCID40374012582-42-5Indophenol der.SCHEMBL3132789IGNZCIXAFITVRI-UHFFFAOYSA-NNGPKWSXWCZCEDU-UHFFFAOYSA-N2,6-dichloro-4-[(3-chloro-4-hydroxyphenyl)imino]-2,5-cyclohexadien-1-one
Show more names
2,6-dichloro-4-[(3-chloro-4-hydroxyphenyl)imino]cyclohexa-2,5-dien-1-one2,5-Cyclohexadien-1-one, 2,6-dichloro-4-(3-chloro-4-hydroxyphenyl)imino-2,6-dichloro-4-(3-chloro-4-hydroxy-phenyl)imino-cyclohexa-2,5-dien-1-one
Database identifiers
- CAS
2582-42-5- PubChem CID
- 75747
- DTXSID
DTXSID7062538- Nikkaji
- J421.623G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 433
Physicochemical properties
- Boiling point
- 414.1 · 414.1±45.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 9.05 · 9.05±0.35(Predicted)
- EPA Substance Registry System
- 2 · 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-[(3-chloro-4-hydroxyphenyl)imino]- (2582-42-5)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,5-Cyclohexadien-1-one, 2,6-dichloro-4-[(3-chloro-4-hydroxyphenyl)imino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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