CAS No.104-11-0,(4-CHLORO-BENZYL)-METHYL-AMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	104-11-0
Name:	(4-CHLORO-BENZYL)-METHYL-AMINE
Article Data:	31

Formula:	C₈H₁₀ClN
Molecular Weight:	155.627
Synonyms:	Benzylamine,p-chloro-N-methyl- (8CI);(4-Chlorobenzyl)methylamine;4-Chloro-N-methylbenzylamine;N-(p-Chlorobenzyl)-N-methylamine;N-Methyl-4-chlorobenzylamine;N-Methyl-N-(4-chlorobenzyl)amine;N-Methyl-p-chlorobenzylamine;NSC 39968;p-Chloro-N-methylbenzylamine;
EINECS:	203-175-3
Density:	1.088 g/cm³
Boiling Point:	206.9 ºC at 760 mmHg
Flash Point:	78.9 ºC
Hazard Symbols:	Xn,C,Xi
Risk Codes:	22-34
Safety:	23-26-36/37/39-45
PSA:	12.03000
LogP:	2.45030

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Specification

The IUPAC name of 4-Chloro-N-methylbenzylamine is 1-(4-chlorophenyl)-N-methylmethanamine. With the CAS registry number 104-11-0, it is also named as Benzenemethanamine, 4-chloro-N-methyl-. The product's categories are Amines and Anilines; Halides; Polyamines. In addition, its molecular formula is C₈H₁₀ClN and molecular weight is 155.62.

The other characteristics of this product can be summarized as: (1)EINECS: 203-175-3; (2)ACD/LogP: 2.11; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.93; (5)ACD/LogD (pH 7.4): 0.05; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 2.91; (10)H bond acceptors: 1; (11)H bond donors: 1; (12)Freely Rotating Bonds: 2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 44.29 cm³; (15)Molar Volume: 143 cm³; (16)Surface Tension: 34.9 dyne/cm; (17)Density: 1.088 g/cm³; (18)Flash Point: 78.9 °C; (19)Enthalpy of Vaporization: 44.32 kJ/mol; (20)Boiling Point: 206.9 °C at 760 mmHg; (21)Vapour Pressure: 0.232 mmHg at 25 °C.

Uses of 4-Chloro-N-methylbenzylamine: it can react with 4-(2-Cyano-phenyl)-2-diethoxymethyl-6-methyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 5-(2-chloro-ethyl) ester 3-ethyl ester to get 4-(2-Cyano-phenyl)-2-diethoxymethyl-6-methyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 5-{2-[(4-chloro-benzyl)-methyl-amino]-ethyl} ester 3-ethyl ester.

This reaction needs Et₃N and Ethanol by heating for 56 hours. The yield is 88.4 %.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. Please do not breathe vapour. And it may cause burns. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc1ccc(cc1)CNC
(2)InChI:InChI=1/C8H10ClN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
(3)InChIKey:LMBUJNXYGGNSAH-UHFFFAOYAK
(4)Std. InChI:InChI=1S/C8H10ClN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
(5)Std. InChIKey:LMBUJNXYGGNSAH-UHFFFAOYSA-N