CAS No.41927-01-9,3,4-DIMETHYL-O-PHENYLENEDIAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	41927-01-9
Name:	3,4-DIMETHYL-O-PHENYLENEDIAMINE
Article Data:	11

Formula:	C₈H₁₂N₂
Molecular Weight:	136.197
Synonyms:	o-Phenylenediamine,3,4-dimethyl- (7CI);1,2-Diamino-3,4-dimethylbenzene;3,4-Diamino-o-xylene;3,4-Dimethyl-1,2-benzenediamine;3,4-Dimethyl-1,2-phenylenediamine;3,4-Dimethyl-o-phenylenediamine;
Density:	1.076 g/cm³
Melting Point:	87-89 °C
Boiling Point:	278.3 °C at 760 mmHg
Flash Point:	143.9 °C
Hazard Symbols:	R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Risk Codes:	20/21/22
Safety:	22-36/37
Transport Information:	UN 2811
PSA:	52.04000
LogP:	2.63020

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Specification

The 1, 2-Benzenediamine, 3, 4-dimethyl-, with the CAS registry number of 41927-01-9, is also known as 2-Amino-3, 4-dimethylphenylamine. This chemical's molecular formula is C₈H₁₂N₂ and molecular weight is 136.19. What's more, its IUPAC name is 3, 4-Dimethylbenzene-1, 2-diamine. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about 1, 2-Benzenediamine, 3, 4-dimethyl- are: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 2.67; (6)ACD/BCF (pH 7.4): 3.22; (7)ACD/KOC (pH 5.5): 66.71; (8)ACD/KOC (pH 7.4): 80.35; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 44.37 cm³; (15)Molar Volume: 126.5 cm³; (16)Surface Tension: 48.6 dyne/cm; (17)Density: 1.076 g/cm³; (18)Flash Point: 143.9 °C; (19)Enthalpy of Vaporization: 51.69 kJ/mol; (20)Boiling Point: 278.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00431 mmHg at 25 °C.

Uses of 1, 2-Benzenediamine, 3, 4-dimethyl-: it is used to produce other chemicals. For example, it is used to produce 3-[2-Amino-4, 5-dimethylphenylimino(p-toluoyl)]-4-hydroxy-6-(p-tolyl)-2H-pyran-2-one by heating. The reaction needs solvent Ethanol. The reaction time is 2 hours. The yield is about 58 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. In addition, the dust of this chemical can not be breathed. During using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1c(c(ccc1N)C)C
(2) InChI: InChI=1/C8H12N2/c1-5-3-4-7(9)8(10)6(5)2/h3-4H,9-10H2,1-2H3
(3) InChIKey: MHQULXYNBKWNDF-UHFFFAOYAR