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4-Chloro-N-methylbenzylamine

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Name

4-Chloro-N-methylbenzylamine

EINECS 203-175-3
CAS No. 104-11-0 Density 1.088 g/cm3
PSA 12.03000 LogP 2.45030
Solubility N/A Melting Point N/A
Formula C8H10ClN Boiling Point 206.9 ºC at 760 mmHg
Molecular Weight 155.627 Flash Point 78.9 ºC
Transport Information N/A Appearance N/A
Safety 23-26-36/37/39-45 Risk Codes 22-34
Molecular Structure Molecular Structure of 104-11-0 ((4-CHLORO-BENZYL)-METHYL-AMINE) Hazard Symbols HarmfulXn,CorrosiveC,IrritantXi
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;

Article Data 31

4-Chloro-N-methylbenzylamine 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

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