HC Blue no. 2

Base Information

• Chemical Name: HC Blue no. 2
• CAS No.: 33229-34-4
• Molecular Formula: C12H19N3O5
• Molecular Weight: 285.3
• Hs Code.: 29221990
• European Community (EC) Number: 251-410-3
• UNII: 6C0EL1931V
• DSSTox Substance ID: DTXSID6020193
• Nikkaji Number: J78.133I
• Wikidata: Q27155970
• ChEMBL ID: CHEMBL1561876
• Mol file: 33229-34-4.mol

Synonyms:2,2'-((4-((2-hydroxyethyl)amino)-3-nitrophenyl)imino)bis(ethanol);HC Blue No. 2

Chemical Property of HC Blue no. 2

Chemical Property:

• Appearance/Colour: dark blue to dark brown microcrystalline powder
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 108-111 °C(lit.)
• Refractive Index: 1.5600 (estimate)
• Boiling Point: 582.7 °C at 760 mmHg
• PKA: 14.19±0.10(Predicted)
• Flash Point: 306.2 °C
• PSA: 121.78000
• Density: 1.421 g/cm³
• LogP: 0.38620
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: water: soluble(lit.)
• Water Solubility.: 4.57g/L at 25℃
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 285.13247072
• Heavy Atom Count: 20
• Complexity: 281

Purity/Quality:

99% ^*data from raw suppliers

2,2''-[4-(2-Hydroxyethylamino)-3-nitrophenylimino]diethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Dyes -> Other Dyes
• Canonical SMILES: C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCO
• Uses: 2,2′-[4-(2-Hydroxyethylamino)-3-nitrophenylimino]diethanol may be employed to improve the visibility of self-healing ureidopyrimidinone (UPy) hydrogel (poly(ethylene glycol) containing bifunctional UDP groups).

Technology Process of HC Blue no. 2

There total 1 articles about HC Blue no. 2 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 2,2’-[4-(2-hydroxyethylamino)-3-nitrophenylimino]diethanol (33229-34-4)

Guidance literature:

Reference yield: 80.0%

2,2’-[4-(2-hydroxyethylamino)-3-nitrophenylimino]diethanol (33229-34-4) + N-(6-isocyanatohextyl)-N'-(6-isopropyl-4-oxo-1,4-dihydropyrimidin-2-yl)urea (1029024-85-8) → 2-({4-[bis(2-hydroxyethyl)amino]-2-nitrophenyl}amino)ethyl[6-({[(6-isopropyl-4-oxo-1,4-dihydropyrimidin-2-yl)amino]carbonyl}amino)hexyl]carbamate (1313803-25-6)

Guidance literature:

With dibutyltin(II) dilaurate; In tetrahydrofuran; for 3h; Inert atmosphere;

Reference yield: 80.0%

2,2’-[4-(2-hydroxyethylamino)-3-nitrophenylimino]diethanol (33229-34-4) → 2-nitro-1-amino-4-[bis-(2-hydroxyethyl)-amino]-benzene (29705-39-3)

Guidance literature:

With ammonium hydroxide; sodium sulfite; In methanol; at 70 ℃; for 144h;

DOI:10.1016/S0040-4020(98)00181-1

Downstream raw materials:

2-nitro-1-amino-4-[bis-(2-hydroxyethyl)-amino]-benzene

2-({4-[bis(2-hydroxyethyl)amino]-2-nitrophenyl}amino)ethyl[6-({[(6-isopropyl-4-oxo-1,4-dihydropyrimidin-2-yl)amino]carbonyl}amino)hexyl]carbamate

Refernces