Basic information
- CAS
72987-42-9- Standard SMILES
Cc1cc(N(CCO)CCO)ccc1N=Nc1ncc([N+](=O)[O-])s1- InChIKey
ZRFKBPGAGIGQON-UHFFFAOYSA-N- Molecular formula
- C14H17N5O4S
- Average molar mass
- 351.38 g/mol
- Monoisotopic mass
- 351.10012521
Overview
See also: C.I. Disperse Blue 96 (annotation moved to).
Names & identifiers
- Preferred name
- 2,2'-(3-Methyl-4-(5-nitrothiazol-2-ylazo)phenylimino)bisethanol
- IUPAC
- 2-[N-(2-hydroxyethyl)-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]ethanol
- English name
- 2,2'-[3-methyl-4-(5-nitrothiazol-2-ylazo)phenylimino]bisethanol
- Molecular formula
- C14H17N5O4S
- Molecular weight
- 351.38
Names & synonyms
2,2'-[3-METHYL-4-(5-NITROTHIAZOL-2-YLAZO)PHENYLIMINO]BISETHANOLDTXSID60888346Ethanol, 2,2'-((3-methyl-4-((5-nitro-2-thiazolyl)azo)phenyl)imino)bis-Ethanol, 2,2'-[[3-methyl-4-[(5-nitro-2-thiazolyl)azo]phenyl]imino]bis-2,2'-(3-Methyl-4-(5-nitrothiazol-2-ylazo)phenylimino)bisethanolEthanol, 2,2'-((3-methyl-4-(2-(5-nitro-2-thiazolyl)diazenyl)phenyl)imino)bis-Ethanol, 2,2'-[[3-methyl-4-[2-(5-nitro-2-thiazolyl)diazenyl]phenyl]imino]bis-RefChem:440131DTXCID901027626277-184-672987-42-92-[N-(2-hydroxyethyl)-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]ethanol
Show more names
Blue BNDisperse Blue 96C.I.Disperse Blue 96:C.I.1122572,2'-[[3-methyl-4-[(5-nitro-2-thiazolyl)azo]phenyl]imino]bis-ethano2,2'-[[3-methyl-4-[(5-nitro-2-thiazolyl) azo] phenyl] imino]bis-EthanolEthanol,2,2'-[[3-methyl-4-[(5-nitro-2-thiazolyl)azo] phenyl] imino]bis-
(E)-2,2'-((3-methyl-4-((5-nitrothiazol-2-yl)diazenyl)phenyl)azanediyl)bis(ethan-1-ol)EINECS 277-184-6C.I. Disperse Blue 96ZRFKBPGAGIGQON-UHFFFAOYSA-NNS000590782,2'-({3-Methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}azanediyl)di(ethan-1-ol)
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- Boiling point
- 606.7 · 606.7±65.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 14.27 · 14.27±0.10(Predicted)
- EPA Substance Registry System
- 2 · Ethanol, 2,2'-[[3-methyl-4-[(5-nitro-2-thiazolyl)azo]phenyl]imino]bis- (72987-42-9)
- 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% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Ethanol, 2,2â²-[[3-methyl-4-[2-(5-nitro-2-thiazolyl)diazenyl]phenyl]imino]bis-
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2,2'-[[3-methyl-4-[2-(5-nitro-2-thiazolyl)diazenyl]phenyl]imino]bis-: ACTIVE
Preparation methods
Preparation5-Nitrothiazol-2-amine diazo, and N,N-bis(2-hydroxyethyl)-3-methylbenzenaminecoupling.
Upstream & downstream products
Upstream raw materials
Suppliers4 total
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
天门恒昌化工有限公司027-59322316 15172518801 · [email protected]
湖北实顺生物科技有限公司027-59223025 15107168801 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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