1,3-Benzenedicarbonitrile, 2-(2-(4-(diethylamino)-2-methylphenyl)diazenyl)-5-nitro-
Basic information
- CAS
84870-65-5- Standard SMILES
CCN(CC)c1ccc(N=Nc2c(C#N)cc([N+](=O)[O-])cc2C#N)c(C)c1- InChIKey
HCOYTIPJLYJCDR-UHFFFAOYSA-N- Molecular formula
- C19H18N6O2
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.14912384
Names & identifiers
- Preferred name
- 1,3-Benzenedicarbonitrile, 2-(2-(4-(diethylamino)-2-methylphenyl)diazenyl)-5-nitro-
- IUPAC
- 2-[[4-(diethylamino)-2-methylphenyl]diazenyl]-5-nitrobenzene-1,3-dicarbonitrile
- English name
- 2-[[4-(diethylamino)-2-methylphenyl]azo]-5-nitrobenzene-1,3-dicarbonitrile
- Molecular formula
- C19H18N6O2
- Molecular weight
- 362.39
Names & synonyms
EINECS 284-395-71,3-Benzenedicarbonitrile, 2-[[4-(diethylamino)-2-methylphenyl]azo]-5-nitro-1,3-Benzenedicarbonitrile, 2-[2-[4-(diethylamino)-2-methylphenyl]diazenyl]-5-nitro-DTXSID60748852-((4-(Diethylamino)-2-methylphenyl)azo)-5-nitrobenzene-1,3-dicarbonitrile2-[[4-(Diethylamino)-2-methylphenyl]azo]-5-nitrobenzene-1,3-dicarbonitrile1,3-Benzenedicarbonitrile, 2-(2-(4-(diethylamino)-2-methylphenyl)diazenyl)-5-nitro-1,3-Benzenedicarbonitrile, 2-((4-(diethylamino)-2-methylphenyl)azo)-5-nitro-2-[2-[4-(Diethylamino)-2-methylphenyl]diazenyl]-5-nitro-1,3-benzenedicarbonitrile2-(2-(4-(Diethylamino)-2-methylphenyl)diazenyl)-5-nitro-1,3-benzenedicarbonitrileRefChem:412885DTXCID9048439
Show more names
2-(4-Diethylamino-2-methylphenylazo)-5-nitroisophthalonitrile4-((2,6-DICYANO-4-NITROPHENYL)AZO)-3-METHYL-N,N-DIETHYLANILINE2-[[4-(Diethylamino)-2-methylphenyl]azo]-5-nitro-1,3-benzenedicarbonitrile
1,3-Benzenedicarbonitrile, 2-4-(diethylamino)-2-methylphenylazo-5-nitro-284-395-784870-65-5Disperse blue 366E7FB8T2RPUorb2566447SCHEMBL12955157SCHEMBL13905097
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 612
Physicochemical properties
- Boiling point
- 586 · 586.0±50.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 3.53 · 3.53±0.50(Predicted)
- LogP
- 4.7 at · 4.7 at 20℃
- EPA Substance Registry System
- 1 · 1,3-Benzenedicarbonitrile, 2-[[4-(diethylamino)-2-methylphenyl]azo]-5-nitro- (84870-65-5)
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (28 of 28) of all reports.
Not Classified
Aggregated GHS information provided per 28 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,3-Benzenedicarbonitrile, 2-[[4-(diethylamino)-2-methylphenyl]azo]-5-nitro-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 2-[[4-(diethylamino)-2-methylphenyl]azo]-5-nitrobenzene-1,3-dicarbonitrile (EC: 284-395-7)
1,3-Benzenedicarbonitrile, 2-4-(diethylamino)-2-methylphenylazo-5-nitro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenedicarbonitrile, 2-[2-[4-(diethylamino)-2-methylphenyl]diazenyl]-5-nitro-: ACTIVE
Applications
UsesDisperse blue 366 is a blue dye commonly used for fiber dyeing.
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Related reactions
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Compound notes
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