2,6-Diaminotoluene

Base Information

• Chemical Name: 2,6-Diaminotoluene
• CAS No.: 823-40-5
• Molecular Formula: C7H10N2
• Molecular Weight: 122.17
• Hs Code.: 29215190
• European Community (EC) Number: 212-513-9
• ICSC Number: 0340
• NSC Number: 147490
• UN Number: 3077
• UNII: H838Q10551
• DSSTox Substance ID: DTXSID4027319
• Nikkaji Number: J7.125K
• Wikidata: Q1987204
• Metabolomics Workbench ID: 49544
• ChEMBL ID: CHEMBL1489438
• Mol file: 823-40-5.mol

Synonyms:2,6-DAT;2,6-diaminotoluene;2,6-diaminotoluene dihydrochloride;2,6-toluenediamine

Chemical Property of 2,6-Diaminotoluene

Chemical Property:

• Appearance/Colour: off-white crystals
• Melting Point: 104-106 °C(lit.)
• Refractive Index: 1.5103 (estimate)
• Boiling Point: 284.2 °C at 760 mmHg
• PKA: 4.74±0.10(Predicted)
• Flash Point: 148.3 °C
• PSA: 52.04000
• Density: 1.107 g/cm³
• LogP: 2.32180
• Solubility.: soluble in Ether,Alcohol
• Water Solubility.: 60 g/L (15 ºC)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 122.084398327
• Heavy Atom Count: 9
• Complexity: 82.9
• Transport DOT Label: Class 9

Purity/Quality:

99% ^*data from raw suppliers

2,6-Diaminotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, N
• Hazard Codes: Xn,N
• Statements: 21/22-43-51/53-68-50/53-40
• Safety Statements: 24-36/37-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: CC1=C(C=CC=C1N)N
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly when dispersed.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the blood. This may result in the formation of methaemoglobin. The effects may be delayed. Medical observation is indicated.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis. Repeated or prolonged contact may cause skin sensitization.

Technology Process of 2,6-Diaminotoluene

There total 16 articles about 2,6-Diaminotoluene 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: 100.0%

2,6-dinitrotoluene (606-20-2) → 2,6-toluenediamine (823-40-5)

Guidance literature:

With hydrogen; In methanol; at 50 ℃; for 0.666667h; under 1500.15 Torr; Inert atmosphere;

DOI:10.1002/aoc.4832

Reference yield: 94.0%

2,6-Toluene diisocyanate (91-08-7) → 2,6-toluenediamine (823-40-5)

Guidance literature:

With formic acid; trifluoroborane diethyl ether;

Reference yield: 89.0%

→ 2,6-toluenediamine (823-40-5)

Guidance literature:

upstream raw materials:

2,6-dinitrotoluene

3-nitro-o-tolylamine

2,6-Toluene diisocyanate

hydrogenchloride

Downstream raw materials:

7-amino-4,8-dimethyl-quinolin-2-ol

2,6-Toluene diisocyanate

2-methyl-4,6-diethylphenylene-1,3-diamine

2-methyl-4-phenylazo-m-phenylenediamine

Refernces

• 1、 Hu, Xiwei,Sun, Xun,Song, Qiang,Zhu, Yangyang,Long, Yu,Dong, Zhengping. "N,S co-doped hierarchically porous carbon materials for efficient metal-free catalysis". . p. 742 - 752. Retrieved 2020/02/21.
• 2、 Wang, Kaizhi,Gao, Wenbing,Jiang, Pengbo,Lan, Kai,Yang, Ming,Huang, Xiaokang,Ma, Lei,Niu, Fang,Li, Rong. "Bi-functional catalyst of porous N-doped carbon with bimetallic FeCu for solvent-free resultant imines and hydrogenation of nitroarenes". . p. 43 - 53. Retrieved 2019/01/08.