Name: 4-(TRIFLUOROMETHOXY)BENZYLAMINE
SKU: 93919-56-3

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Basic Information

Molecular Structure:
CAS No.:	93919-56-3
Name:	4-(TRIFLUOROMETHOXY)BENZYLAMINE
Article Data:	9

Formula:	C₈H₈F₃NO
Molecular Weight:	191.153
Synonyms:	((4-(Trifluoromethoxy)phenyl)methyl)amine;1-[4-(Trifluoromethoxy)phenyl]methanamine;
EINECS:	300-040-1
Density:	1.276 g/cm³
Boiling Point:	172.512 °C at 760 mmHg
Flash Point:	77.778 °C
Appearance:	clear colorless to light yellow liquid
Hazard Symbols:	Xi,C
Risk Codes:	36/37/38
Safety:	26-36/37/39
Transport Information:	UN 2735
PSA:	35.25000
LogP:	2.74420

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Specification

The 4-(Trifluoromethoxy)benzylamine, with the CAS registry number 93919-56-3, is also known as ((4-(Trifluoromethoxy)phenyl)methyl)amine. It belongs to the product categories of Amine; Amines; C8; Nitrogen Compounds. Its EINECS number is 300-040-1. This chemical's molecular formula is C₈H₈F₃NO and molecular weight is 191.15. What's more, its systematic name is 1-[4-(Trifluoromethoxy)phenyl]methanamine. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.

Physical properties of 4-(Trifluoromethoxy)benzylamine are: (1)ACD/LogP: 2.297; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.57; (4)ACD/LogD (pH 7.4): 0.94; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.44; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 18.61; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.25 Å²; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 41.84 cm³; (15)Molar Volume: 149.815 cm³; (16)Polarizability: 16.587×10^-24cm³; (17)Surface Tension: 31.0 dyne/cm; (18)Density: 1.276 g/cm³; (19)Flash Point: 77.778 °C; (20)Enthalpy of Vaporization: 40.888 kJ/mol; (21)Boiling Point: 172.512 °C at 760 mmHg; (22)Vapour Pressure: 1.3 mmHg at 25°C.

Uses of 4-(Trifluoromethoxy)benzylamine: it can be used to produce 3-phenyl-4-(4-trifluoromethoxy-benzylamino)-cyclobut-3-ene-1,2-dione at the temperature of 20 °C. It will need solvent methanol with the reaction time of 30 min. The yield is about 96%.

4-(Trifluoromethoxy)benzylamine can be used to produce 3-phenyl-4-(4-trifluoromethoxy-benzylamino)-cyclobut-3-ene-1,2-dione at the temperature of 20 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. 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)SMILES: FC(F)(F)Oc1ccc(cc1)CN
(2)Std. InChI: InChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2
(3)Std. InChIKey: DBGROTRFYBSUTR-UHFFFAOYSA-N