1,3-Cyclohexanedione, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-5,5-dimethyl-
Basic information
- CAS
63467-06-1- Standard SMILES
CC1(C)CC(=O)C(N=Nc2ccc(Cl)cc2[N+](=O)[O-])C(=O)C1- InChIKey
YQEWWWGIXNSFGR-UHFFFAOYSA-N- Molecular formula
- C14H14ClN3O4
- Average molar mass
- 323.73 g/mol
- Monoisotopic mass
- 323.0672836
Names & identifiers
- Preferred name
- 1,3-Cyclohexanedione, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-5,5-dimethyl-
- IUPAC
- 2-[(4-chloro-2-nitrophenyl)diazenyl]-5,5-dimethylcyclohexane-1,3-dione
- English name
- 2-[(4-chloro-2-nitrophenyl)azo]-5,5-dimethylcyclohexane-1,3-dione
- Molecular formula
- C14H14ClN3O4
- Molecular weight
- 323.73
Names & synonyms
EINECS 264-219-51,3-Cyclohexanedione, 2-((4-chloro-2-nitrophenyl)azo)-5,5-dimethyl-1,3-Cyclohexanedione, 2-[(4-chloro-2-nitrophenyl)azo]-5,5-dimethyl-1,3-Cyclohexanedione, 2-(2-(4-chloro-2-nitrophenyl)diazenyl)-5,5-dimethyl-1,3-Cyclohexanedione, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-5,5-dimethyl-RefChem:41417563467-06-12-[(4-Chloro-2-nitrophenyl)azo]-5,5-dimethylcyclohexane-1,3-dione2-((4-Chloro-2-nitrophenyl)azo)-5,5-dimethylcyclohexane-1,3-dioneMHE7YN6XU6DTXSID7069865YQEWWWGIXNSFGR-UHFFFAOYSA-N
Show more names
2-[(4-chloro-2-nitrophenyl)azo]-5,5-dimethyl-3-cyclohexanedione3-Cyclohexanedione, 2-[(4-chloro-2-nitrophenyl)azo]-5,5-dimethyl-1
2-[(4-chloro-2-nitrophenyl)diazenyl]-5,5-dimethylcyclohexane-1,3-dioneDB-302616NS000354612-[2-(4-Chloro-2-nitrophenyl)diazenyl]-5,5-dimethyl-1,3-cyclohexanedione2-[2-(4-Chloro-2-nitrophenyl)diazenyl]-3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one2-Cyclohexen-1-one, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-3-hydroxy-5,5-dimethyl-
Database identifiers
- CAS
63467-06-1- PubChem CID
- 113247
- DTXSID
DTXSID7069865- UNII
- MHE7YN6XU6
- EC Number
- 264-219-5
- Nikkaji
- J349.213C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 495
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Cyclohexanedione, 2-[(4-chloro-2-nitrophenyl)azo]-5,5-dimethyl- (63467-06-1)
- 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 Information1,3-Cyclohexanedione, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-5,5-dimethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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