N-(4-(2-Chloro-4,6-dinitrophenylazo)-3-methylphenyl)diethanolamine
Basic information
- CAS
65125-87-3- Standard SMILES
Cc1cc(N(CCO)CCO)ccc1N=Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
KMLVKWGMGPTYLS-UHFFFAOYSA-N- Molecular formula
- C17H18ClN5O6
- Average molar mass
- 423.8 g/mol
- Monoisotopic mass
- 423.094561
Names & identifiers
- Preferred name
- N-(4-(2-Chloro-4,6-dinitrophenylazo)-3-methylphenyl)diethanolamine
- IUPAC
- 2-[4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
- English name
- 2-[[4-(2-chloro-4,6-dinitro-phenyl)diazenyl-3-methyl-phenyl]-(2-hydroxyethyl)amino]ethanol
- Molecular formula
- C17H18ClN5O6
- Molecular weight
- 423.81
Names & synonyms
N-(4-(2-CHLORO-4,6-DINITROPHENYLAZO)-3-METHYLPHENYL)DIETHANOLAMINERefChem:826889664-109-065125-87-32-[4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanolEthanol,2,2'-[[4-[(2-chloro-4,6-dinitrophenyl)azo]-3-methylphenyl]imino]bis- (9CI)DIS. A. 8DTXSID601031725AKOS0244346072,2'-((4-((2-Chloro-4,6-dinitrophenyl)azo)-3-methylphenyl)imino))bis-ethanolEthanol, 2,2'-((4-((2-chloro-4,6-dinitrophenyl)azo)-3-methylphenyl)imino))bis-Ethanol, 2,2'-[[4-[(2-chloro-4,6-dinitrophenyl)azo]-3-methylphenyl]imino]bis- (9CI)
Show more names
2-[[4-(2-chloro-4,6-dinitro-phenyl)diazenyl-3-methyl-phenyl]-(2-hydroxyethyl)amino]ethanol
Database identifiers
- CAS
65125-87-3- PubChem CID
- 47527
- DTXSID
DTXSID601031725- EC Number
- 664-109-0
- Nikkaji
- J1.624.288H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 580
Experimental & physicochemical properties
LogP3.15
Physicochemical properties
- Density
- 1.5445 · 1.5445 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- Water Solubility
- 211.9 ug/L · 211.9ug/L(25 ºC)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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