3,5-Dichloro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate
Basic information
- CAS
24857-20-3- Standard SMILES
CC(=O)Oc1cc(Cl)c(N=C2C=CC(=O)C=C2)c(Cl)c1- InChIKey
SLESHALQTWUMIJ-UHFFFAOYSA-N- Molecular formula
- C14H9Cl2NO3
- Average molar mass
- 310.1 g/mol
- Monoisotopic mass
- 308.9959485
Names & identifiers
- Preferred name
- 3,5-Dichloro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate
- IUPAC
- [3,5-dichloro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl] acetate
- English name
- 2,6-Dichlorophenolindophenyl acetate
- Molecular formula
- C14H9Cl2NO3
- Molecular weight
- 310.13
Names & synonyms
3,5-dichloro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate2,6-Dichloroindophenyl acetate[3,5-dichloro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl] acetate4-((2,3-Dichloro-4-oxocyclohexa-2,5-dien-1-yl)imino)phenyl acetateDIPA2,6-DICHLOROINDOPHENOL ACETATE2,6-Dichlorophenolindophenyl acetate2,6-Dichlorophenolindophenyl acetate,DIPA4-[[4-(acetyloxy)phenyl]imino]-2,6-dichloro-5-cyclohexadien-1-one4-[(2,3-dichloro-4-oxocyclohexa-2,5-dien-1-yl)imino]phenyl acetate4-[[4-(Acetyloxy)phenyl]imino]-2,6-dichloro-2,5-cyclohexadien-1-one2,5-Cyclohexadien-1-one, 4-[[4-(acetyloxy)phenyl]imino]-2,6-dichloro-
Database identifiers
- CAS
24857-20-3- PubChem CID
- 90633
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 469
Physicochemical properties
- Melting point
- 97 · 97-101 °C
- Boiling point
- 402.9 · 402.9±45.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- -1.06 · -1.06±0.20(Predicted)
- EPA Substance Registry System
- 2 · 2,5-Cyclohexadien-1-one, 4-[[4-(acetyloxy)phenyl]imino]-2,6-dichloro- (24857-20-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 8 · 8-9-23
- 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
- F
- 8-9-23
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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