Dichlorophenol Indophenol
Basic information
- CAS
537-14-4- Standard SMILES
O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1- InChIKey
FBWADIKARMIWNM-UHFFFAOYSA-N- Molecular formula
- C12H7Cl2NO2
- Average molar mass
- 268.09 g/mol
- Monoisotopic mass
- 266.98538382
Overview
2,6-dichloroindophenol is a quinone imine that is indophenol substituted by chloro groups at positions 2 and 6. It has a role as a reagent and a dye. It is a member of phenols, an organochlorine compound and a quinone imine. It is functionally related to an indophenol.
Names & identifiers
- Preferred name
- Dichlorophenol Indophenol
- IUPAC
- 4-(3,5-dichloro-4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one
- English name
- 2,6-Dichlorophenolindophenol
- Molecular formula
- C12H7Cl2NO2
- Molecular weight
- 268.1
Names & synonyms
Dichlorophenol IndophenolRefChem:1083425956-48-92,6-Dichlorophenolindophenol2,6-DICHLOROINDOPHENOLDichloroindophenolDCIPTillmans ReagentDCPIP2,5-cyclohexadien-1-one, 2,6-dichloro-4-[(4-hydroxyphenyl)imino]-4-[(3,5-dichloro-4-hydroxyphenyl)imino]cyclohexa-2,5-dien-1-one2,6-Dichloro-N-4-hydroxyphenyl-p-benzoquinone monoimine
Show more names
DPIP/DCIPDichlorophenolindphenol，6-DICHLOROPHENOLINDOPHENOLPHENOLINDO-2,6-DICHLOROPHENOL2,6-Dichlorophenolindophenol, GR
4-(3,5-dichloro-4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one2,6-Dichloro-4-[(4-hydroxyphenyl)imino]-2,5-cyclohexadien-1-oneC35QN2Z58B2,6-dichloro-4-[(4-hydroxyphenyl)imino]cyclohexa-2,5-dien-1-oneMFCD00066292Indochlorophenol2,6-dichloro-4-((4-hydroxyphenyl)imino)cyclohexa-2,5-dien-1-one2,5-Cyclohexadien-1-one, 2,6-dichloro-4-((4-hydroxyphenyl)imino)-
Database identifiers
- CAS
537-14-4、956-48-9- PubChem CID
- 13726
- DTXSID
DTXSID501174455- ChEMBL
CHEMBL198157、CHEMBL500871- ChEBI
CHEBI:945- UNII
- C35QN2Z58B
- Nikkaji
- J2.485.135D、J227.502C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Boiling point
- 393.5 · 393.5±42.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 10.49 · 10.49±0.30(Predicted)
- form
- Solid
- color
- Dark Blue to Very Dark Blue
- Stability
- Hygroscopic
- InChI
- InChI=1S/C12H7Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,16H
- InChIKey
- CCBICDLNWJRFPO-UHFFFAOYSA-N
- SMILES
- C1(=O)C(Cl)=C/C(=N\C2=CC=C(O)C=C2)/C=C1Cl
- FDA UNII
- 35 QN2Z58B · C35QN2Z58B
- EPA Substance Registry System
- 2 · 2,6-Dichloroindophenol (956-48-9)
- 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
Applications
Uses2,6-Dichlorophenolindophenol (Technical Grade) is an organic redox dye, and is commonly used to assess ascorbic acid content.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: A quinone imine that is indophenol substituted by chloro groups at positions 2 and 6.
Related reactions
1 records
Compound notes
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