6972-71-0

Basic information

• Product Name: 4,5-DIMETHYL-2-NITROANILINE
• Synonyms: TIMTEC-BB SBB003892;4,5-dimethyl-2-nitro-benzenamin;2-NITRO-4,5-DIMETHYL ANILINE;6-NITRO-3,4-XYLIDINE;4,5-DIMETHYL-2-NITROANILINE;2-nitro-4,5-xylidine;4,5-DIMETHYL-2-NITROANILINE / 6-NITRO-3,4-XYLIDINE;4,5-Dimethyl-2-nitroaniline ,97%
• CAS NO: 6972-71-0
• Molecular Formula: C₈H₁₀N₂O₂
• Molecular Weight: 166.18
• EINECS: 230-211-5
• Product Categories: Amines;C8;Nitrogen Compounds
• Mol File: 6972-71-0.mol
• Article Data: 7

Chemical Properties

• Melting Point: 139-141 °C(lit.)
• Boiling Point: 314.38°C (rough estimate)
• Flash Point: 156.8 °C
• Appearance: brown crystalline powder
• Density: 1.2275 (estimate)
• Vapor Pressure: 0.000118mmHg at 25°C
• Refractive Index: 1.6273 (estimate)
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 0.71±0.25(Predicted)
• BRN: 2209637
• CAS DataBase Reference: 4,5-DIMETHYL-2-NITROANILINE(CAS DataBase Reference)
• NIST Chemistry Reference: 4,5-DIMETHYL-2-NITROANILINE(6972-71-0)
• EPA Substance Registry System: 4,5-DIMETHYL-2-NITROANILINE(6972-71-0)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• RIDADR: UN2811
• WGK Germany: 3
• TSCA: Yes
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 6972-71-0(Hazardous Substances Data)

Usage

Chemical Properties

brown crystalline powder

InChI:InChI=1/C8H10N2O2/c1-5-3-7(9)8(10(11)12)4-6(5)2/h3-4H,9H2,1-2H3

Upstream product

• 95-64-7 4-amino-o-xylene 
• 610-23-1 4,5-dimethyl-1,2-dinitrobenzene 
• 7664-41-7 ammonia 
• 619-04-5 3,4-dimethylbenzoic acid 
• 64823-23-0 3,4-Dimethyl-2-nitroanilin 
• 7732-18-5 water 
• 18087-10-0 4,5-dimethyl-2-nitrophenol 
• 2198-54-1 N-(3,4-dimethylphenyl)acetamide 
• 199189-73-6 (4,5-dimethyl-2-nitro-phenyl)-carbamic acid ethyl ester 
• 6970-77-0 N-(4,5-dimethyl-2-nitrophenyl)acetamide 

Downstream Products

• 17978-54-0 N¹,4,5-trimethyl-2-nitroaniline 
• 251649-39-5 1-(4-cyano-2-nitrophenyl)-1H-pyrrole 
• 209324-71-0 4-acetamido-5-nitrophthalic acid 
• 64263-00-9 5,6-dimethyl-2-(pyridin-4-yl)-1H-benzo[d]imidazole 
• 582-60-5 5,6-dimethyl-1H-benzo[d]imida-zole 
• 1086-80-2 7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione 
• 857440-09-6 N¹-benzyl-4,5-dimethylbenzene-1,2-diamine 
• 183492-69-5 4,5-dimethyl-2-nitro-N-benzylaniline 
• 14313-45-2 5,6-dimethyl-2-phenyl-1H-benzo[d]imidazole 
• 20781-17-3 2-Nitro-4.5-dimethyl-N-(ω-brom-aethyl)-anilin 

Relevant articles and documents

Synthesis of symmetric dinitro-functionalised troeger's base analogues

The synthesis of six new examples of 2,8-dinitro-substituted Troeger's base analogues are reported, together with the first examples of 1,7-, 3,9- and 4,10-dinitro Troeger's base analogues and the first example of a tetranitro Troeger's base compound. Several of these dinitro compounds lack substituents at the 2- and 8-positions and therefore provide further examples of Troeger's base analogues derived from anilines lacking a para substituent.

Recognition properties of flavin analogues with bile acid-based receptors: Role of steric effects in hydrogen bond based molecular recognition

The recognition properties of 7,8-dimethyl flavin analogues by bile acid-based receptors that contain 2,6-diaminopyridine and the dioctylamide of 2,6-diaminopyridine in CHCl3 were determined. The results show that the bile acid-based receptors bind 7,8-dimethyl flavin analogues less effectively as compared to 7,8-unsubstituted flavins reported earlier, which is contrary to the known fact that the association constants increase with increasing electron-donating capacity of the substituents at the 7 and 8 positions of the flavin analogues. CSIRO 2008.

Improved synthesis of thromboxane A2 receptor antagonists with a dibenzoxepin ring system

Two derivatives of sodium (E)-11-[2-(1-benzimidazolyl)ethylidene]11-oxo-6,11-dihydrodibenz[b,e]o xepin-2-carboxylate, novel nonprostanoid thromboxane A2 (TXA2) receptor antagonists, were synthesized from methyl 11-oxo-6,11-dihydrodibenz[b,e]oxepin-2-carboxylate. The carbonyl group at C11 was converted into a formylmethylene, then into a 1-azadiene moiety by reaction with a 2-aminoformanilide derivative. Stereo- and regioselective elaboration of the unsymmetrical imidazoles was achieved through a sequence of the transformation of E,Z-1-azadiene intermediates to E isomers under acidic conditions followed by cyclization to imidazoles.