Acetamide, N-[2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]-
Basic information
- CAS
23807-28-5- Standard SMILES
COc1cc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCO)CCC#N- InChIKey
WECQKZZOBBSHPK-UHFFFAOYSA-N- Molecular formula
- C20H20ClN7O7
- Average molar mass
- 505.9 g/mol
- Monoisotopic mass
- 505.1112737
Names & identifiers
- Preferred name
- Acetamide, N-[2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]-
- IUPAC
- N-[2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-[2-cyanoethyl(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide
- English name
- N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide
- Molecular formula
- C20H20ClN7O7
- Molecular weight
- 505.87
Names & synonyms
EINECS 245-895-0Acetamide, N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]-DTXSID7066934N-(2-((2-Chloro-4,6-dinitrophenyl)azo)-5-((2-cyanoethyl)(2-hydroxyethyl)amino)-4-methoxyphenyl)acetamideAcetamide, N-(2-((2-chloro-4,6-dinitrophenyl)azo)-5-((2-cyanoethyl)(2-hydroxyethyl)amino)-4-methoxyphenyl)-Acetamide, N-(2-(2-(2-chloro-4,6-dinitrophenyl)diazenyl)-5-((2-cyanoethyl)(2-hydroxyethyl)amino)-4-methoxyphenyl)-N-[2-[(2-Chloro-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamideAcetamide, N-[2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]-N-[2-[2-(2-Chloro-4,6-dinitrophenyl)diazenyl]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamideN-(2-(2-(2-Chloro-4,6-dinitrophenyl)diazenyl)-5-((2-cyanoethyl)(2-hydroxyethyl)amino)-4-methoxyphenyl)acetamideRefChem:551663DTXCID8036946
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Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 827
Physicochemical properties
- Boiling point
- 812.7 · 812.7±65.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 13.49 · 13.49±0.70(Predicted)
- EPA Substance Registry System
- 2 · Acetamide, N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]- (23807-28-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- 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 2.3% (1 of 43) of reports.
Warning
H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Acetamide, N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]-
Other Safety InformationIMAP assessments - Acetamide, N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (90.7%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-[2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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