Propanenitrile, 3-[[2-(benzoyloxy)ethyl][4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]amino]-
Basic information
- CAS
15087-68-0- Standard SMILES
N#CCCN(CCOC(=O)c1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)cc1- InChIKey
GGZWNOLYDCKMNW-UHFFFAOYSA-N- Molecular formula
- C24H20ClN5O4
- Average molar mass
- 477.9 g/mol
- Monoisotopic mass
- 477.1203818
Names & identifiers
- Preferred name
- Propanenitrile, 3-[[2-(benzoyloxy)ethyl][4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]amino]-
- IUPAC
- 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]ethyl benzoate
- English name
- 2-[4-[(2-chloro-4-nitrophenyl)azo]-N-(2-cyanoethyl)anilino]ethyl benzoate
- Molecular formula
- C24H20ClN5O4
- Molecular weight
- 477.8997
Names & synonyms
EINECS 239-140-4Propanenitrile, 3-[[2-(benzoyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]-2-(4-((2-Chloro-4-nitrophenyl)azo)-N-(2-cyanoethyl)anilino)ethyl benzoate2-[4-[(2-CHLORO-4-NITROPHENYL)AZO]-N-(2-CYANOETHYL)ANILINO]ETHYL BENZOATE3-(N-(2-(Benzoyloxy)ethyl)-p-((2-chloro-4-nitrophenyl)azo)anilino)propionitrile4-(2-Chloro-4-nitrophenylazo)-N-((beta-benzoyloxy)ethyl)-N-(beta-cyanoethyl)anilinePropanenitrile, 3-((2-(benzoyloxy)ethyl)(4-((2-chloro-4-nitrophenyl)azo)phenyl)amino)-Propanenitrile, 3-((2-(benzoyloxy)ethyl)(4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)amino)-Propanenitrile, 3-[[2-(benzoyloxy)ethyl][4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]amino]-RefChem:869026239-140-415087-68-0
Show more names
3-[[2-(Benzoyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]propanenitrile
GGZWNOLYDCKMNW-UHFFFAOYSA-N2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]ethyl benzoateDTXSID00658542-[{4-[(2-CHLORO-4-NITROPHENYL)DIAZENYL]PHENYL}(2-CYANOETHYL)AMINO]ETHYL BENZOATENS00024927
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 737
Physicochemical properties
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[[2-(benzoyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]- (15087-68-0)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-[[2-(benzoyloxy)ethyl][4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]amino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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