Basic information
- CAS
66882-16-4- Standard SMILES
CC(=O)OCCN(CCOC(C)=O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)c(C)c1- InChIKey
YAOMDDRLRVOOIC-UHFFFAOYSA-N- Molecular formula
- C22H23N5O6
- Average molar mass
- 453.4 g/mol
- Monoisotopic mass
- 453.16483347
Overview
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Names & identifiers
- Preferred name
- Benzonitrile, 2-[2-[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]diazenyl]-5-nitro-
- IUPAC
- 2-[N-(2-acetyloxyethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate
- English name
- 2-[[4-[(2-cyano-3-nitrophenyl)azo]-m-tolyl](2-acetoxyethyl)amino]ethyl acetate
- Molecular formula
- C22H23N5O6
- Molecular weight
- 453.45
Names & synonyms
EINECS 235-460-3EINECS 266-510-22-((4-((Bis(2-hydroxyethyl))amino)-2-methylphenyl)azo)-5-nitrobenzonitrile diacetateBenzonitrile, 2-(2-(4-(bis(2-(acetyloxy)ethyl)amino)-2-methylphenyl)diazenyl)-5-nitro-Benzonitrile, 2-[2-[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]diazenyl]-5-nitro-RefChem:566193Disperse Violet 3366882-16-4Benzonitrile, 2-((4-(bis(2-(acetyloxy)ethyl)amino)-2-methylphenyl)azo)-5-nitro-2-[N-(2-acetyloxyethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetateBenzonitrile, 2-[[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]azo]-5-nitro-C.I. Disperse Violet 33
Show more names
Specglo Rubine 3BNavilene Rubine 3BBegacron Rubine CBWidetex Rubine CB.Apollon Rubine S-CBAllilon Rubine CB3FSinowide Rubine C-BVicoperse Rubine 3BSerilene Rubine 2B-LSSeriprint Rubine 2B-LS
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 740
Physicochemical properties
- Boiling point
- 630.8 · 630.8±55.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 1.62 · 1.62±0.50(Predicted)
- EPA Substance Registry System
- 2 · Benzonitrile, 2-[[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]azo]-5-nitro- (66882-16-4)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- 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.
Hazard information
Regulatory InformationChemical: Benzonitrile, 2-[2-[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]diazenyl]-5-nitro-
Safety data
- tsca
- TSCA listed
- Hazard statements
- H412
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzonitrile, 2-[2-[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]diazenyl]-5-nitro-: ACTIVE
Applications
UsesDisperse Violet 33 is a violet dye commonly used for fiber dyeing.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
Alfa Chemistry1-516-6625404 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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