CAS No.7006-52-2,3-CHLORO-N-METHYLANILINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	7006-52-2
Name:	3-CHLORO-N-METHYLANILINE
Article Data:	32

Formula:	C₇H₈ClN
Molecular Weight:	141.6
Synonyms:	Aniline,m-chloro-N-methyl- (6CI,7CI,8CI);(3-Chlorophenyl)methylamine;3-Chloro-N-methylaniline;3-Chloro-N-methylbenzenamine;N-(3-Chlorophenyl)-N-methylamine;N-(3-Chlorophenyl)methylamine;N-Methyl-3-chloroaniline;N-Methyl-3-chloroaniline;N-Methyl-m-chloroaniline;
EINECS:	-0
Density:	1.171 g/cm³
Boiling Point:	235 °C at 760 mmHg
Flash Point:	93.8 °C
Appearance:	clear yellow to brown liquid
Hazard Symbols:	Xi, Xn
Risk Codes:	36/37/38-20/21/22
Safety:	26-36-36/37/39
PSA:	12.03000
LogP:	2.45470

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Specification

The IUPAC name of Benzenamine,3-chloro-N-methyl- is 3-chloro-N-methylaniline. With the CAS registry number 7006-52-2, it is also named as N-(3-Chlorophenyl)-N-methylamine. The product's categories are amines and nitrogen compounds. In addition, it is clear yellow to brown liquid.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 2.72; (4)ACD/BCF (pH 5.5): 66.82; (5)ACD/BCF (pH 7.4): 69.15; (6)ACD/KOC (pH 5.5): 697.58; (7)ACD/KOC (pH 7.4): 721.92; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 40.75 cm³; (13)Molar Volume: 120.8 cm³; (14)Polarizability: 16.15×10^-24 cm³; (15)Surface Tension: 39 dyne/cm; (16)Enthalpy of Vaporization: 47.18 kJ/mol; (17)Vapour Pressure: 0.0513 mmHg at 25°C; (18)Rotatable Bond Count: 1; (19)Exact Mass: 141.034527; (20)MonoIsotopic Mass: 141.034527; (21)Topological Polar Surface Area: 12; (22)Heavy Atom Count: 9.

Preparation of Benzenamine,3-chloro-N-methyl-: It can be obtained by formic acid-(3-chloro-anilide) with the reagent LiAlH₄ in the solvent tetrahydrofuran. The yield is 94% and other condition is at ambient temperature.

Uses of Benzenamine,3-chloro-N-methyl-: It can react with 2,4-diamino-6-quinazolinesulfonyl chloride sulfate to get 2,4-diamino-quinazoline-6-sulfonic acid (3-chloro-phenyl)-methyl-amide. This reaction needs solvent ethanol by heating. The reaction time is 1 hours. The yield is 45%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it is also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. Smiles: c1c(NC)cccc1Cl;
2. InChI: InChI=1/C7H8ClN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3.