2,2'-((3-Chloro-4-((4-nitrophenyl)azo)phenyl)imino)bisethanol
Basic information
- CAS
4540-00-5- Standard SMILES
O=[N+]([O-])c1ccc(N=Nc2ccc(N(CCO)CCO)cc2Cl)cc1- InChIKey
ZVROYWXEJXXQGA-UHFFFAOYSA-N- Molecular formula
- C16H17ClN4O4
- Average molar mass
- 364.78 g/mol
- Monoisotopic mass
- 364.0938327
Names & identifiers
- Preferred name
- 2,2'-((3-Chloro-4-((4-nitrophenyl)azo)phenyl)imino)bisethanol
- IUPAC
- 2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
- English name
- 2,2'-[[3-chloro-4-[(4-nitrophenyl)azo]phenyl]imino]bisethanol
- Molecular formula
- C16H17ClN4O4
- Molecular weight
- 364.78
Names & synonyms
Ethanol, 2,2'-[[3-chloro-4-[(4-nitrophenyl)azo]phenyl]imino]bis-2,2'-[[3-chloro-4-[(4-nitrophenyl)azo]phenyl]imino]bisethanolDTXSID60635132,2'-[[3-Chloro-4-[2-(4-nitrophenyl)diazenyl]phenyl]imino]bis[ethanol]Ethanol, 2,2'-((3-chloro-4-((4-nitrophenyl)azo)phenyl)imino)bis-Ethanol, 2,2'-((3-chloro-4-(2-(4-nitrophenyl)diazenyl)phenyl)imino)bis-2,2'-((3-Chloro-4-((4-nitrophenyl)azo)phenyl)imino)bisethanolEthanol, 2,2'-[[3-chloro-4-[2-(4-nitrophenyl)diazenyl]phenyl]imino]bis-2,2'-((3-Chloro-4-(2-(4-nitrophenyl)diazenyl)phenyl)imino)bis(ethanol)RefChem:440070DTXCID5040411224-889-1
Show more names
C.I.11150C.I.Disperse Red 7Disperse Red 7 10mgC12972217 DispersERed 7Disperse Red 7 in MethanolC.I.Disperse Red 7:C.I.111504'-(BIS(2-HYDROXYETHYL)AMINO)-2'-CHLORO-4-NITROAZOBENZENE4'-(BIS(2-HYDROXYETHYL)AMINO)-2'-CHLORO-4-NITROAZOBENZENEEthanol, 2,2'-[[3-chloro-4-[(4-nitrophenyl) azo]phenyl]imino]bis-
4540-00-5Disperse Red 7Amacel Scarlet III2-[3-chloro-N-(2-hydroxyethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethanolC.I. DISPERSE RED 7C.I. Dispense Red 7EINECS 224-889-1Acetoquinone Light Scarlet JR 3
Database identifiers
- CAS
4540-00-5- PubChem CID
- 20663
- DTXSID
DTXSID6063513- UNII
- GN2TX2LQ2A
- EC Number
- 224-889-1
- Nikkaji
- J33.600I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 434
Experimental & physicochemical properties
LogP2.93
Physicochemical properties
- Melting point
- 190 °C · 190°C
- Boiling point
- 601.4 · 601.4±55.0 °C(Predicted)
- Density
- 1.4469 · 1.4469 (rough estimate)
- refractive index
- 1.68 · 1.6800 (estimate)
- pka
- 14.19 · 14.19±0.10(Predicted)
- Water Solubility
- 401.3 ug/L · 401.3ug/L(25 ºC)
- EPA Substance Registry System
- 2 · Ethanol, 2,2'-[[3-chloro-4-[(4-nitrophenyl)azo]phenyl]imino]bis- (4540-00-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Ethanol, 2,2'-[[3-chloro-4-[(4-nitrophenyl)azo]phenyl]imino]bis-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2,2'-[[3-chloro-4-[2-(4-nitrophenyl)diazenyl]phenyl]imino]bis-: INACTIVE
Applications
Uses2,2''-[[3-Chloro-4-[2-(4-nitrophenyl)diazenyl]phenyl]imino]bis[ethanol] is a disperse dye. Dyes and metabolites, Environmental Testing.
Preparation methods
Preparation4-Nitrobenzenamine diazo, and N,N-bis(2-hydroxyethyl)-3-chlorobenzenaminecoupling between
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
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Compound notes
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