4-Chloro-3-methylaniline

The Benzenamine,4-chloro-3-methyl-, with CAS registry number 7149-75-9, belongs to the following product categories: (1)Anilines, Aromatic Amines and Nitro Compounds; (2)Anilines, Amides & Amines; (3)Chlorine Compounds; (4)Aromatics. It has the systematic name of 4-chloro-3-methylaniline. This chemical is a kind of white powder.

Physical properties of Benzenamine,4-chloro-3-methyl-: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 27.39; (6)ACD/BCF (pH 7.4): 28.43; (7)ACD/KOC (pH 5.5): 368.18; (8)ACD/KOC (pH 7.4): 382.05; (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: 1.585; (14)Molar Refractivity: 40.2 cm³; (15)Molar Volume: 119.9 cm³; (16)Polarizability: 15.94×10^-24cm³; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 99.8 °C; (20)Enthalpy of Vaporization: 47.84 kJ/mol; (21)Boiling Point: 241.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0358 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid m-toluidide. This reaction will need reagents carbon disulfide, sulfuryl chloride.

Uses of Benzenamine,4-chloro-3-methyl-: it can be used to produce 1-chloro-2-methyl-4-nitrosobenzene. This reaction will need reagents Na₂CO₃, NaHCO₃, AcOOH and solvents methanol, H₂O, acetic acid. The reaction time is 2 hour(s). The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,4-chloro-3-methyl- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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(N)cc1C
(2)InChI: InChI=1/C7H8ClN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
(3)InChIKey: HIHCTGNZNHSZPP-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H8ClN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
(5)Std. InChIKey: HIHCTGNZNHSZPP-UHFFFAOYSA-N