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Basic information
- CAS
72828-63-8- Standard SMILES
CCCCN(CCOC(C)=O)c1ccc(N=Nc2c(Br)cc([N+](=O)[O-])cc2C#N)c(C)c1- InChIKey
MEJVRNGBUURVPB-UHFFFAOYSA-N- Molecular formula
- C22H24BrN5O4
- Average molar mass
- 502.4 g/mol
- Monoisotopic mass
- 501.10117
Names & identifiers
- Preferred name
- Benzonitrile, 2-[2-[4-[[2-(acetyloxy)ethyl]butylamino]-2-methylphenyl]diazenyl]-3-bromo-5-nitro-
- IUPAC
- 2-[4-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-N-butyl-3-methylanilino]ethyl acetate
- English name
- 2-[[4-[(5-bromo-2-cyano-3-nitrophenyl)azo]-3-methylphenyl]butylamino]ethyl acetate
- Molecular formula
- C22H24BrN5O4
- Molecular weight
- 502.36
Names & synonyms
DTXSID4072607EINECS 276-878-6Benzonitrile, 2-[[4-[[2-(acetyloxy)ethyl]butylamino]-2-methylphenyl]azo]-3-bromo-5-nitro-N-(2-Acetoxyethyl)-4-((2-bromo-6-cyano-4-nitrophenyl)azo)-N-butyl-3-methylbenzeneamineBenzonitrile, 2-((4-((2-(acetyloxy)ethyl)butylamino)-2-methylphenyl)azo)-3-bromo-5-nitro-Benzonitrile, 2-(2-(4-((2-(acetyloxy)ethyl)butylamino)-2-methylphenyl)diazenyl)-3-bromo-5-nitro-Benzonitrile, 2-[2-[4-[[2-(acetyloxy)ethyl]butylamino]-2-methylphenyl]diazenyl]-3-bromo-5-nitro-RefChem:566189DTXCID704735672828-63-8MEJVRNGBUURVPB-UHFFFAOYSA-NNS00037408
Show more names
2-[[4-[(5-bromo-2-cyano-3-nitrophenyl)azo]-3-methylphenyl]butylamino]ethyl acetate2-[[4-[[2-(acetyloxy)ethyl] butylamino]-2-methylphenyl]azo]-3-bromo-5-nitro-BenzonitrileBenzonitrile, 2-[[4-[[2-(acetyloxy)ethyl] butylamino]-2-methylphenyl]azo]-3-bromo-5-nitro -
2-[{4-[(2-Bromo-6-cyano-4-nitrophenyl)diazenyl]-3-methylphenyl}(butyl)amino]ethyl acetate
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 706
Physicochemical properties
- Boiling point
- 639.13 · 639.130±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.374 · 1.374±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.153 · 3.153±0.50(predicted)
- EPA Substance Registry System
- 2 · Benzonitrile, 2-[[4-[[2-(acetyloxy)ethyl]butylamino]-2-methylphenyl]azo]-3-bromo-5-nitro- (72828-63-8)
- 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
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
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Compound notes
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