CAS No.150517-77-4,3-FLUORO-5-(TRIFLUOROMETHYL)BENZYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	150517-77-4
Name:	3-FLUORO-5-(TRIFLUOROMETHYL)BENZYLAMINE

Formula:	C₈H₇F₄N
Molecular Weight:	193.144
Synonyms:	3-Fluoro-5-(trifluoromethyl)benzylamine;[3-Fluoro-5-(trifluoromethyl)phenyl]methanamine;
Density:	1.312 g/cm³
Boiling Point:	172.3 °C at 760 mmHg
Flash Point:	76.7 °C
Solubility:	Insoluble in water.
Hazard Symbols:	C, Xi
Risk Codes:	34
Safety:	26-27-36/37/39-45
PSA:	26.02000
LogP:	3.00350

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Specification

The Benzenemethanamine,3-fluoro-5-(trifluoromethyl)- is an organic compound with the formula C₈H₇F₄N. The IUPAC name of this chemical is [3-Fluoro-5-(trifluoromethyl)phenyl]methanamine. With the CAS registry number 150517-77-4, it is also named as Benzenemethanamine, 3-fluoro-5-(trifluoromethyl)-. The product's categories are Amines; C8; Nitrogen Compounds. Besides, it should be stored under nitrogen.

Physical properties about Benzenemethanamine,3-fluoro-5-(trifluoromethyl)- are: (1)ACD/LogP: 1.55; (2)ACD/LogD (pH 5.5): -1.33; (3)ACD/LogD (pH 7.4): 0.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 6.54; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24 Å²; (12)Index of Refraction: 1.451; (13)Molar Refractivity: 39.67 cm³; (14)Molar Volume: 147.1 cm³; (15)Polarizability: 15.72×10^-24 cm³; (16)Surface Tension: 27.6 dyne/cm; (17)Density: 1.312 g/cm³; (18)Flash Point: 76.7 °C; (19)Enthalpy of Vaporization: 40.87 kJ/mol; (20)Boiling Point: 172.3 °C at 760 mmHg; (21)Vapour Pressure: 1.34 mmHg at 25 °C.

Uses of Benzenemethanamine,3-fluoro-5-(trifluoromethyl)-: it can be used to produce [(3-Fluoro-5-trifluoromethyl-benzylcarbamoyl)-methyl]-(phenethylcarbamoyl-methyl)-carbamic acid tert-butyl ester at temperature of 25 °C. This reaction is a kind of Substitution. It will need reagent PyBOP; i-Pr₂NEt and solvent dimethylformamide with reaction time of 16 hours. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
It causes burns. When you are using it, take off immediately all contaminated clothing, and wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H7F4N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H,4,13H2
(2)InChIKey: ADHUUMWSWNPEMZ-UHFFFAOYAE
(3)Std. InChI: InChI=1S/C8H7F4N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H,4,13H2
(4)Std. InChIKey: ADHUUMWSWNPEMZ-UHFFFAOYSA-N