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4-Fluoro-3-trifluoromethyl benzylamine

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Name

4-Fluoro-3-trifluoromethyl benzylamine

EINECS N/A
CAS No. 67515-74-6 Density 1.312 g/cm3
PSA 26.02000 LogP 3.00350
Solubility N/A Melting Point N/A
Formula C8H7F4N Boiling Point 191.8 °C at 760 mmHg
Molecular Weight 193.144 Flash Point 82.7 °C
Transport Information N/A Appearance clear slightly yellow liquid
Safety 26-36/37/39 Risk Codes 34
Molecular Structure Molecular Structure of 67515-74-6 (4-FLUORO-3-(TRIFLUOROMETHYL)BENZYLAMINE) Hazard Symbols IrritantXi,CorrosiveC
Synonyms

((4-Fluoro-3-(trifluoromethyl)phenyl)methyl)amine;1-[4-Fluoro-3-(trifluoromethyl)phenyl]methanamine;3-Trifluoromethyl-4-fluorobenzylamine;4-Fluoro-3-trifluoromethylbenzylamine;

 

4-Fluoro-3-trifluoromethyl benzylamine Specification

The Benzenemethanamine,4-fluoro-3-(trifluoromethyl)-, with the CAS registry number 67515-74-6, is also known as 3-Trifluoromethyl-4-fluorobenzylamine. This chemical's molecular formula is C8H7F4N and formula weight is 193.14. What's more, its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]methanamine. The product should be stored in containers with dry inert gas which are placed in cool and dry places. It should be protected from strong oxidizers and air.

Physical properties of Benzenemethanamine,4-fluoro-3-(trifluoromethyl)- are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.21; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 5.51; (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)Surface Tension: 27.6 dyne/cm; (16)Density: 1.312 g/cm3; (17)Flash Point: 82.7 °C; (18)Enthalpy of Vaporization: 42.8 kJ/mol; (19)Boiling Point: 191.8 °C at 760 mmHg; (20)Vapour Pressure: 0.505 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It can cause burn. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1CN)C(F)(F)F)F
(2)InChI: InChI=1S/C8H7F4N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4,13H2
(3)InChIKey: HZDVQEUISWBXPV-UHFFFAOYSA-N

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