Basic information
- CAS
12223-39-1- Standard SMILES
CC(=O)OCCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1- InChIKey
UKDMYBSNSXIHND-UHFFFAOYSA-N- Molecular formula
- C20H18N6O4
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.13895308
Overview
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Names & identifiers
- Preferred name
- Benzonitrile, 2-(2-(4-((2-(acetyloxy)ethyl)(2-cyanoethyl)amino)phenyl)diazenyl)-5-nitro-
- IUPAC
- 2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl acetate
- English name
- Disperse Red 72
- Molecular formula
- C20H18N6O4
- Molecular weight
- 406.4
Names & synonyms
EINECS 235-418-4Benzonitrile, 2-[[4-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]azo]-5-nitro-4-((2-Cyano-4-nitrophenyl)azo)-N-(2-cyanoethyl)-N-(2-acetoxyethyl)anilineBenzonitrile, 2-((4-((2-(acetyloxy)ethyl)(2-cyanoethyl)amino)phenyl)azo)-5-nitro-Benzonitrile, 2-(2-(4-((2-(acetyloxy)ethyl)(2-cyanoethyl)amino)phenyl)diazenyl)-5-nitro-Benzonitrile, 2-[2-[4-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]diazenyl]-5-nitro-RefChem:56618812223-39-1DISPERSE RED 722-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl acetate2-((4-((2-Cyano-3-nitrophenyl)azo)phenyl)(2-cyanoethyl)amino)ethylacetate2-[2-[4-[[2-(Acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile
Show more names
Red S-FLC.I.11114Scarlet S-FLMultite Red SLDisperse Red FLIntrasil Red SLFDisperse Red S-FLSynten Red P-GBL.C.I.Disperse Red 72
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 710
Physicochemical properties
- Boiling point
- 654.7 · 654.7±55.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 1.17 · 1.17±0.50(Predicted)
- EPA Substance Registry System
- 2 · Benzonitrile, 2-[[4-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]azo]-5-nitro- (12223-39-1)
- 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.
Hazard information
Regulatory InformationChemical: Benzonitrile, 2-[[4-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]azo]-5-nitro-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzonitrile, 2-[2-[4-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]diazenyl]-5-nitro-: ACTIVE
Preparation methods
Preparation2-Cyano-4-nitroaniline diazo, and N-hydroxyethyl-N-methoxycarbonylethylaniline coupling.
Upstream & downstream products
Upstream raw materials
Suppliers9 total
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
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Compound notes
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