3,4-DICHLORO-N-METHYLANILINE

The CAS register number of Benzenamine,3,4-dichloro-N-methyl- is 40750-59-2. It also can be called as N-Methyl-3,4-dichloroaniline and the systematic name about this chemical is 3,4-dichloro-N-methylaniline. The molecular formula about this chemical is C₇H₇Cl₂N and the molecular weight is 176.04. It belongs to the following product categories which include Amines; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het; C7; Nitrogen Compounds and so on.

Physical properties about Benzenamine,3,4-dichloro-N-methyl- are: (1)ACD/LogP: 3.38; (2)ACD/LogD (pH 5.5): 3.38; (3)ACD/LogD (pH 7.4): 3.38; (4)ACD/BCF (pH 5.5): 216.36; (5)ACD/BCF (pH 7.4): 217.89; (6)ACD/KOC (pH 5.5): 1630.19; (7)ACD/KOC (pH 7.4): 1641.73; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24Ų; (12)Index of Refraction: 1.603; (13)Molar Refractivity: 45.65 cm³; (14)Molar Volume: 132.7 cm³; (15)Polarizability: 18.09x10^-24cm³; (16)Surface Tension: 41.9 dyne/cm; (17)Flash Point: 127.9 °C; (18)Enthalpy of Vaporization: 52.71 kJ/mol; (19)Boiling Point: 287.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00241 mmHg at 25°C.

Preparation: this chemical can be prepared by formic acid-(3,4-dichloro-anilide) at ambient temperature. This reaction will need reagent LiAlH₄ and solvent tetrahydrofuran. The yield is about 90%.

Uses of Benzenamine,3,4-dichloro-N-methyl-: it can be used to produce 6-{[(3,4-dichloro-phenyl)-methyl-amino]-methyl}-pyrido[3,2-d]pyrimidine-2,4-diamine with 2,4-diamino-6-bromomethyl-8-deazapteridine hydrobromide at ambient temperature. This reaction will need reagent NaHCO₃ and solvent dimethylformamide with reaction time of 6 day(s). The yield is about 42%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. 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: Clc1ccc(NC)cc1Cl
(2)InChI: InChI=1/C7H7Cl2N/c1-10-5-2-3-6(8)7(9)4-5/h2-4,10H,1H3
(3)InChIKey: DUSNCFKVMGTTFK-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H7Cl2N/c1-10-5-2-3-6(8)7(9)4-5/h2-4,10H,1H3
(5)Std. InChIKey: DUSNCFKVMGTTFK-UHFFFAOYSA-N