Basic information
- CAS
72968-68-4- Standard SMILES
Cc1cc(NCCO)ccc1N=Nc1cc(Cl)ccc1C#N- InChIKey
IXOXJFDILDBSDX-UHFFFAOYSA-N- Molecular formula
- C16H15ClN4O
- Average molar mass
- 314.77 g/mol
- Monoisotopic mass
- 314.0934388
Names & identifiers
- Preferred name
- Benzonitrile, 4-chloro-2-[2-[4-[(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-
- IUPAC
- 4-chloro-2-[[4-(2-hydroxyethylamino)-2-methylphenyl]diazenyl]benzonitrile
- English name
- 4-chloro-2-[[4-[(2-hydroxyethyl)amino]-o-tolyl]azo]benzonitrile
- Molecular formula
- C16H15ClN4O
- Molecular weight
- 314.77
Names & synonyms
EINECS 277-144-8Benzonitrile, 4-chloro-2-[[4-[(2-hydroxyethyl)amino]-2-methylphenyl]azo]-N-(2-Hydroxyethyl)-4-((2-cyano-5-chlorophenyl)azo)-3-methylbenzenamineBenzonitrile, 4-chloro-2-((4-((2-hydroxyethyl)amino)-2-methylphenyl)azo)-Benzonitrile, 4-chloro-2-(2-(4-((2-hydroxyethyl)amino)-2-methylphenyl)diazenyl)-Benzonitrile, 4-chloro-2-[2-[4-[(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-RefChem:56623972968-68-4DTXSID1072684IXOXJFDILDBSDX-UHFFFAOYSA-NNS000374494-Chloro-2-((4-((2-hydroxyethyl)amino)-o-tolyl)azo)benzonitrile
Show more names
4-chloro-2-[[4-[(2-hydroxyethyl)amino]-o-tolyl]azo]benzonitrile4-Chloro-2-[[4-[(2-hydroxyethyl)amino]-2-methylphenyl]azo]benzonitrile
4-Chloro-2-({4-[(2-hydroxyethyl)amino]-2-methylphenyl}diazenyl)benzonitrile
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- EPA Substance Registry System
- 4 · Benzonitrile, 4-chloro-2-[[4-[(2-hydroxyethyl)amino]-2-methylphenyl]azo]- (72968-68-4)
- 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
Uses & manufacturing
General Manufacturing InformationBenzonitrile, 4-chloro-2-[2-[4-[(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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