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This chemical is called 2-Chloro-4,6-dimethylaniline, and it can also be named as Labotest-bb lt00053450. With the CAS registry number of 63133-82-4, its molecular formula is C8H10ClN. In addition, the product categories of this chemical are Amines, C8 and Nitrogen Compounds. Especially, this chemical should be stored at the sealed place which should be kept cool and dry.
Other characteristics of the 2-Chloro-4,6-dimethylaniline can be summarised as followings: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 83.05; (6)ACD/BCF (pH 7.4): 83.28; (7)ACD/KOC (pH 5.5): 822.53; (8)ACD/KOC (pH 7.4): 824.75; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 45.03 cm3; (15)Molar Volume: 136.2 cm3; (16)Polarizability: 17.85×10-24 cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.142 g/cm3; (19)Flash Point: 100.1 °C; (20)Enthalpy of Vaporization: 47.88 kJ/mol; (21)Boiling Point: 241.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0351 mmHg at 25°C; (23)Melting Point: 38-40 °C(lit.).
Production method of the 2-Chloro-4,6-dimethylaniline: Using the reactant of 1-chloro-3,5-dimethyl-2-nitro-benzene, the reagent of aq. Na2S2O4, and the solvent of methanol, you can get the product of 2-chloro-4,6-dimethyl-aniline. Besides, this reaction should take for 24 hours at the temperature of 60 °C.
Uses of the 2-Chloro-4,6-dimethylaniline: Using the reactants of triphenylphosphane and 2-chloro-4,6-dimethyl-aniline, and the reagent of NiCl2, you can get the chemical of (2-amino-3,5-dimethyl-phenyl)-triphenyl-phosphonium; chloride. In addition, this reaction should be kept at the temperature of 220 °C.
When you are using this chemical, please be cautious about it as the following: The 2-Chloro-4,6-dimethylaniline is toxic by inhalation, and it is irritating to eyes, respiratory system and skin. In addition, it may cause cancer. When you are using it, please wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes or feeling unwell, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(c1N)C)C
(2)InChI: InChI=1/C8H10ClN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3
(3)InChIKey: LKAQFOKMMXWRRQ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H10ClN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3
(5)Std. InChIKey: LKAQFOKMMXWRRQ-UHFFFAOYSA-N
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T: Toxic
