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2,2,2-Trifluoro-1-(4-methylphenyl)ethylamine (75703-26-3)

Identification
Name:2,2,2-Trifluoro-1-(4-methylphenyl)ethylamine
Synonyms:2,2,2-Trifluoro-1-(p-tolyl)ethylamine
CAS:75703-26-3
Molecular Formula: C9H10F3N
Molecular Weight: 189.18
InChI: InChI=1/C9H10F3N/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5,8H,13H2,1H3
Molecular Structure: (C9H10F3N) 2,2,2-Trifluoro-1-(p-tolyl)ethylamine
Properties
Flash Point: 221.2 °C at 760 mmHg
Boiling Point: 221.2 °C at 760 mmHg
Density:1.187 g/cm3
Refractive index:1.472
Specification:

The systematic name of 2,2,2-Trifluoro-1-(4-methylphenyl)ethylamine is 2,2,2-trifluoro-1-(p-tolyl)ethanamine. With the CAS registry number 75703-26-3, it is also named as 2,2,2-Trifluoro-1-(p-tolyl)ethylamine. The product's molecular formula is C9H10F3N and its molecular weight is 189.18. 

The other characteristics of 2,2,2-Trifluoro-1-(4-methylphenyl)ethylamine can be summarized as: (1)ACD/LogP: 2.42 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.72 ; (4)ACD/LogD (pH 7.4): 2.4 ; (5)H bond acceptors: 1 ; (6)H bond donors: 2 ; (7)Freely Rotating Bonds: 2 ; (8)Index of Refraction: 1.472 ; (9)Molar Refractivity: 44.62 cm3 ; (10)Molar Volume: 159.3 cm3 ; (11)Surface Tension: 29.9 dyne/cm ; (12)Density: 1.187 g/cm3 ; (13)Flash Point: 92.1 °C ; (14)Enthalpy of Vaporization: 45.76 kJ/mol ; (15)Boiling Point: 221.2 °C at 760 mmHg ; (16)Vapour Pressure: 0.109 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cc1ccc(cc1)C(C(F)(F)F)N;
(2)InChI:InChI=1/C9H10F3N/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5,8H,13H2,1H3;
(3)InChIKey:UXPQTBRCSUZWOK-UHFFFAOYAP;
(4)Std. InChI:InChI=1S/C9H10F3N/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5,8H,13H2,1H3;
(5)Std. InChIKey:UXPQTBRCSUZWOK-UHFFFAOYSA-N.

Flash Point: 221.2 °C at 760 mmHg
Safety Data
 

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