CAS No.3102-87-2,1,4-Benzenediamine,2,3,5,6-tetramethyl- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3102-87-2
Name:	1,4-Benzenediamine,2,3,5,6-tetramethyl-

Formula:	C₁₀H₁₆N₂
Molecular Weight:	164.25
Synonyms:	p-Phenylenediamine,2,3,5,6-tetramethyl- (6CI,7CI,8CI);1,4-Diamino-2,3,5,6-tetramethylbenzene;2,3,5,6-Tetramethyl-1,4-benzenediamine;2,3,5,6-Tetramethyl-1,4-phenylenediamine;2,3,5,6-Tetramethyl-p-phenylenediamine;2,3,5,6-Tetramethylphenylenediamine;DAD(H);Diaminodurene;Diaminodurol;Durenediamine;NSC 158251;
EINECS:	221-457-4
Density:	1.032 g/cm³
Melting Point:	150-155 °C(lit.)
Boiling Point:	310.6 °C at 760 mmHg
Flash Point:	167.8 °C
Solubility:
Appearance:	beige fine crystalline powder
Hazard Symbols:	Xi,Xn
Risk Codes:	36/37/38-40
Safety:	26-36-22
Transport Information:
PSA:	52.04000
LogP:	3.24700

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Specification

The CAS register number of 1,4-Benzenediamine,2,3,5,6-tetramethyl- is 3102-87-2. It also can be called as Diaminodurene and the IUPAC name about this chemical is 2,3,5,6-tetramethylbenzene-1,4-diamine. The molecular formula about this chemical is C₁₀H₁₆N₂ and the molecular weight is 164.25. It belongs to the following product categories which include Fluorenes, etc. (reagent for high-performance polymer research); Functional Materials; Reagent for High-Performance Polymer Research and so on.

Physical properties about 1,4-Benzenediamine,2,3,5,6-tetramethyl- are: (1)ACD/LogP: 1.16; (2)ACD/LogD (pH 5.5): 0.45; (3)ACD/LogD (pH 7.4): 1.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 4.24; (6)ACD/KOC (pH 5.5): 20.08; (7)ACD/KOC (pH 7.4): 96.46; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 6.48Å²; (12)Index of Refraction: 1.594; (13)Molar Refractivity: 54.02 cm³; (14)Molar Volume: 159 cm³; (15)Polarizability: 21.41x10^-24cm³; (16)Surface Tension: 43.9 dyne/cm; (17)Enthalpy of Vaporization: 55.14 kJ/mol; (18)Boiling Point: 310.6 °C at 760 mmHg; (19)Vapour Pressure: 0.000595 mmHg at 25°C.

Uses of 1,4-Benzenediamine,2,3,5,6-tetramethyl-: it can be used to produce 1,4-bis-(2,5-dimethylpyrrol-1-yl)-2,3,5,6-tetramethylbenzene with hexane-2,5-dione at heating. This reaction will need reagent conc. HCl and solvent ethanol with reaction time of 1 hours. The yield is about 62%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is limited evidence of a carcinogenic effect. When you are using it, please wear suitable protective clothing and do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1c(c(c(c(c1C)C)N)C)C
(2)InChI: InChI=1/C10H16N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H2,1-4H3
(3)InChIKey: WCZNKVPCIFMXEQ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H16N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H2,1-4H3
(5)Std. InChIKey: WCZNKVPCIFMXEQ-UHFFFAOYSA-N