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Benzenemethanamine,3-fluoro-5-(trifluoromethyl)-

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Name

Benzenemethanamine,3-fluoro-5-(trifluoromethyl)-

EINECS N/A
CAS No. 150517-77-4 Density 1.312 g/cm3
PSA 26.02000 LogP 3.00350
Solubility Insoluble in water. Melting Point N/A
Formula C8H7F4N Boiling Point 172.3 °C at 760 mmHg
Molecular Weight 193.144 Flash Point 76.7 °C
Transport Information N/A Appearance N/A
Safety 26-27-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 150517-77-4 (3-FLUORO-5-(TRIFLUOROMETHYL)BENZYLAMINE) Hazard Symbols CorrosiveC, IrritantXi
Synonyms

3-Fluoro-5-(trifluoromethyl)benzylamine;[3-Fluoro-5-(trifluoromethyl)phenyl]methanamine;

 

Benzenemethanamine,3-fluoro-5-(trifluoromethyl)- 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

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