CAS No.405-66-3,(4-FLUORO-BENZYL)-METHYL-AMINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	405-66-3
Name:	(4-FLUORO-BENZYL)-METHYL-AMINE
Article Data:	19

Formula:	C₈H₁₀FN
Molecular Weight:	139.173
Synonyms:	Benzylamine,p-fluoro-N-methyl- (8CI);(4-Fluorobenzyl)methylamine;(4-Fluorophenyl)-N-methylmethanamine;4-Fluoro-N-methylbenzylamine;N-(4-Fluorobenzyl)-N-methylamine;N-(4-Fluorobenzyl)methylamine;N-Methyl-4-fluorobenzylamine;N-[(4-Fluorophenyl)methyl]-N-methylamine;
Density:	1.029 g/cm³
Boiling Point:	175.9 °C at 760 mmHg
Flash Point:	60.2 °C
Hazard Symbols:	Xi
Risk Codes:	37/38-41-43
Safety:	26-36/37/39
PSA:	12.03000
LogP:	1.93600

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Specification

The 4-Fluoro-N-methylbenzylamine with the CAS number 405-66-3 is also called Benzenemethanamine,4-fluoro-N-methyl-. Both the systematic name and IUPAC name are 1-(4-fluorophenyl)-N-methylmethanamine. Its molecular formula is C₈H₁₀FN. This chemical belongs to the following product categories: (1)Amines and Anilines; (2)Polyamines; (3)API intermediates; (4)Amines; (5)C8; (6)Nitrogen Compounds.

The properties of the chemical are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 3.24 Å²; (7)Index of Refraction: 1.494; (8)Molar Refractivity: 39.39 cm³; (9)Molar Volume: 135.2 cm³; (10)Polarizability: 15.61×10^-24cm³; (11)Surface Tension: 30.9 dyne/cm; (12)Enthalpy of Vaporization: 41.22 kJ/mol; (13)Vapour Pressure: 1.12 mmHg at 25°C.

Preparation: This chemical can be prepared by (4-fluorobenzyl)formamide. This reaction needs reagent LiAlH₄ and solvent tetrahydrofuran. The yield is 78%.

Uses: This chemical can react with 6-chloro-pteridine-2,4-diamine to prepare N6-(4-fluoro-benzyl)-N6-methyl-pteridine-2,4,6-triamine. This reaction needs at temperature of 164 - 169 °C. The reaction time is 8.0 hours. The yield is 31%.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to respiratory system. It is risk of serious damage to the eyes and may cause sensitization by skin contact. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)CNC
(2)InChI: InChI=1/C8H10FN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
(3)InChIKey: SZJIQLSCDIEJFC-UHFFFAOYAF