4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline

Base Information

• Chemical Name: 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline
• CAS No.: 7612-98-8
• Molecular Formula: C15H14 N4 S
• Molecular Weight: 282.369
• Hs Code.: 2930909090
• European Community (EC) Number: 231-521-3
• DSSTox Substance ID: DTXSID201039777
• Nikkaji Number: J208.389B
• Wikidata: Q27902939
• Mol file: 7612-98-8.mol

Synonyms:4-(N,N-dimethylaminoazobenzene)-4'-isothiocyanate;DABITC

Chemical Property of 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline

Chemical Property:

• Appearance/Colour: Rust crystalline powder
• Vapor Pressure: 7.25E-09mmHg at 25°C
• Melting Point: 167-171oC(lit.)
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 466.2°C at 760 mmHg
• PKA: 3.28±0.10(Predicted)
• Flash Point: 235.7°C
• PSA: 72.41000
• Density: 1.13g/cm³
• LogP: 4.90230
• Sensitive.: Moisture Sensitive
• Solubility.: dioxane: 20 mg/mL, clear, red
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 282.09391764
• Heavy Atom Count: 20
• Complexity: 360

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Isothiocyanatophenylazo)-N,N-dimethylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 42
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=C=S
• Uses: 4-(4-Isothiocyanatophenylazo)-N,N-dimethylaniline is a stain/dye. Dyes and metabolites.

Technology Process of 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline

There total 2 articles about 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline 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:

→ 4-N,N-dimethylamino-azobenzene-4'-isothiocyanate (7612-98-8)

Guidance literature:

4-Amino-4'-dimethylamino-azobenzol/CHCl3, CSCl2/CHCl3, CaCO3/Wasser;

Reference yield:

→ 4-(4-isothiocyanatophenylazo)-N,N-dimethylaniline (7612-98-8)

Guidance literature:

4-Dimethylamino-4'-amino-azobenzol, Gemisch v. aq. Thiophosgen, Dichloraethan-CHCl3 (1:1), Kuehlen;

Reference yield: 100.0%

histamine (51-45-6) + 4-N,N-dimethylamino-azobenzene-4'-isothiocyanate (7612-98-8) → 1-[4-(4-dimethylamino-phenylazo)-phenyl]-3-[2-(1H-imidazol-4-yl)-ethyl]-thiourea

Guidance literature:

With sodium hydrogencarbonate; In acetone; for 0.166667h; Heating;

DOI:10.1271/bbb.62.1488