3-nitro-4-methylaniline

Details:

Package & Delivery Time

Package: 25kg/NET Plastic Drum
Delivery Time: In stock



The Specification of 99% 3-nitro-4-methylaniline

Specification 1  

Appearance	Yellow to golden crystal powder
Assay	≥99.0%(GC)
Melting Point	77-81℃
Moisture	≤0.5%
Solubility in ethanol	Transparent solution

 
Specification 2

Qualitative analysis (IR by KBr)	Corresponds to the comparison spectrum
Assay(Titration)	≥99.0%
4-methylaniline(GC)	≤0.1%
4-amino-3-nitrotoluene(GC)	≤0.2%
2-amino-6-nitrotoluene(GC)	≤0.2%
2-amino-4-nitrotoluene(GC)	≤0.2%
Sum of all impurities(GC)	≤1.0%

Min. Order And Production Scale

Min. Order	Production Scale
100 Gram	140 tons per year

Application of 3-nitro-4-methylaniline

*3-nitro-4-methylaniline (CAS NO.119-32-4) can be used for dye synthesis.
*And it can be used as a intermediates or an intermediate in the organic synthesis

Other Specifications
1. Introduction of 3-nitro-4-methylaniline

3-nitro-4-methylaniline (CAS NO.119-32-4) is a yellow to golden crystal powder. The IUPAC Name of this chemical is 4-methyl-3-nitroaniline. Besides, it belongs to the product categories which are Intermediates of Dyes and Pigments;Anilines, Aromatic Amines and Nitro Compounds;Aromatics Compounds;Aromatics;Amines;Building Blocks;C7;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks. 

2. Basic information of 3-nitro-4-methylaniline

1) Properties:

(1)XLogP3: 1.7; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 0; (5)Exact Mass: 152.058578; (6)MonoIsotopic Mass: 152.058578; (7)Topological Polar Surface Area: 71.8; (8)Heavy Atom Count: 11; (9)Formal Charge: 0; (10)Complexity: 155; (11)Isotope Atom Count: 0; (12)Defined Atom Stereocenter Count: 0; (13)Undefined Atom Stereocenter Count: 0; (14)Defined Bond Stereocenter Count: 0; (15)Undefined Bond Stereocenter Count: 0; (16)Covalently-Bonded Unit Count: 1; (17)Feature 3D Acceptor Count: 2; (18)Feature 3D Donor Count: 1; (19)Feature 3D Anion Count: 1; (20)Feature 3D Cation Count: 1; (21)Feature 3D Ring Count: 1; (22)Effective Rotor Count: 1; (23)Conformer Sampling RMSD: 0.4.

2) Physical Properties

Physical Property	Value	Units	Temp (deg C)	Source
Melting Point	45.5	deg C		EXP
pKa Dissociation Constant	3.03	(none)	17	EXP
log P (octanol-water)	2.020	(none)		EST
Water Solubility	1400	mg/L	25	EST
Vapor Pressure	9.72E-04	mm Hg	25	EST
Henry's Law Constant	8.29E-09	atm-m3/mole	25	EST
Atmospheric OH Rate Constant	1.17E-11	cm3/molecule-sec	25	EST

3) Descriptors of Structure

InChI: InChI=1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3
InChIKey: GDIIPKWHAQGCJF-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C=C(C=C1)N)[N+](=O)[O-]
Smiles: c1(c(ccc(c1)N)C)[N+](=O)[O-]