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5306-96-7

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Basic Information
CAS No.: 5306-96-7
Name: 2,3-DIMETHYL-P-PHENYLENEDIAMINE, 99
Article Data: 7
Molecular Structure:
Molecular Structure of 5306-96-7 (2,3-DIMETHYL-P-PHENYLENEDIAMINE, 99)
Formula: C8H12N2
Molecular Weight: 136.197
Synonyms: Dimethyl-4-phenylenediamine;
Density: 1.076 g/cm3
Boiling Point: 288.5 °C at 760 mmHg
Flash Point: 151.5 °C
Hazard Symbols: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Risk Codes: R20/21/22
PSA: 52.04000
LogP: 2.63020
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Specification

The 2,3-dimethylbenzene-1,4-diamine, with the CAS registry number 5306-96-7, is also known as Dimethyl-4-phenylenediamine. This chemical's molecular formula is C8H12N2 and molecular weight is 136.1943. What's more, both its IUPAC name and systematic name are the same which is 2,3-Dimethylbenzene-1,4-diamine.

Physical properties about 2,3-dimethylbenzene-1,4-diamine are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.48; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.1; (8)ACD/KOC (pH 7.4): 30.39; (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)Polarizability: 17.59×10-24 cm3; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.076 g/cm3; (19)Flash Point: 151.5 °C; (20)Enthalpy of Vaporization: 52.78 kJ/mol; (21)Boiling Point: 288.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00232 mmHg at 25 °C.

Use of 2,3-dimethylbenzene-1,4-diamine: it is used to produce other chemicals. For example, it is used to produce Benzo[1,2-c:4,3-c']bisisothiazole. The reaction occurs with reagent N-Sulfinylmethanesulfonamide. The yield is 41%.

2,3-dimethylbenzene-1,4-diamine is used to produce Benzo[1,2-c:4,3-c']bisisothiazole

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1ccc(c(c1C)C)N
(2) InChI: InChI=1/C8H12N2/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,9-10H2,1-2H3
(3) InChIKey: GZVVXXLYQIFVCA-UHFFFAOYAZ