Completing data — refresh the page later to see the latest
Basic information
- CAS
72828-64-9- Standard SMILES
CCCCN(CCOC(C)=O)c1ccc(N=Nc2c(C#N)cc([N+](=O)[O-])cc2C#N)c(C)c1- InChIKey
ARSKJXYLLONUAJ-UHFFFAOYSA-N- Molecular formula
- C23H24N6O4
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.18590327
Names & identifiers
- Preferred name
- 1,3-Benzenedicarbonitrile, 2-(2-(4-((2-(acetyloxy)ethyl)butylamino)-2-methylphenyl)diazenyl)-5-nitro-
- IUPAC
- 2-[N-butyl-4-[(2,6-dicyano-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate
- English name
- [[4-[(2,6-dicyano-4-nitrophenyl)azo]-3-methylphenyl]amino]hexyl acetate
- Molecular formula
- C23H24N6O4
- Molecular weight
- 448.48
Names & synonyms
1,3-Benzenedicarbonitrile, 2-[[4-[[2-(acetyloxy)ethyl]butylamino]-2-methylphenyl]azo]-5-nitro-EINECS 276-879-1N-Butyl-N-(2-acetoxyethyl)-4-((4-nitro-2,6-dicyanophenyl)azo)-3-methylbenzeneamine1,3-Benzenedicarbonitrile, 2-((4-((2-(acetyloxy)ethyl)butylamino)-2-methylphenyl)azo)-5-nitro-1,3-Benzenedicarbonitrile, 2-(2-(4-((2-(acetyloxy)ethyl)butylamino)-2-methylphenyl)diazenyl)-5-nitro-1,3-Benzenedicarbonitrile, 2-[2-[4-[[2-(acetyloxy)ethyl]butylamino]-2-methylphenyl]diazenyl]-5-nitro-RefChem:41288372828-64-9C.I. Disperse Blue 287SCHEMBL2703629DTXSID9072608SCHEMBL29391707
Show more names
[[4-[(2,6-dicyano-4-nitrophenyl)azo]-3-methylphenyl]amino]hexyl acetate4-[N-(2-Acetoxyethyl)(butyl)amino]-2',6'-dicyano-2-methyl-4'-nitroazobenzene2'-Methyl-4-nitro-4'-[butyl(2-acetoxyethyl)amino]azobenzene-2,6-dicarbonitrileN-Butyl-N-(2-acetoxyethyl)-4-[(4-nitro-2,6-dicyanophenyl)azo]-3-methylbenzeneamine2-[4-[N-(2-Acetyloxyethyl)-N-butylamino]-2-methylphenylazo]-5-nitroisophthalonitrile
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 768
Physicochemical properties
- Boiling point
- 654.2 · 654.2±55.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 3.09 · 3.09±0.50(Predicted)
- EPA Substance Registry System
- 1 · 1,3-Benzenedicarbonitrile, 2-[[4-[[2-(acetyloxy)ethyl]butylamino]-2-methylphenyl]azo]-5-nitro- (72828-64-9)
- 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
Portail Substances Chimiques[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…