Name: 4-(Trifluoromethylthio)benzylamine
SKU: 128273-56-3

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Basic Information

Molecular Structure:
CAS No.:	128273-56-3
Name:	4-(Trifluoromethylthio)benzylamine

Formula:	C₈H₈F₃NS
Molecular Weight:	207.219
Synonyms:	4-(Trifluoromethylthio)benzylamine;[4-(Trifluoromethylthio)phenyl]methanamine;
Density:	1.386 g/cm³
Melting Point:	224-225 °C (760 MMHG)
Boiling Point:	382.9 °C at 760 mmHg
Flash Point:	185.4 °C
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-27-36/37/39-45
Transport Information:	UN 3267 8/PG 2
PSA:	51.32000
LogP:	3.45750

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Specification

The cas register number of 4-(Trifluoromethylthio)benzylamine is 128273-56-3. It also can be called as Benzenemethanamine,4-[(trifluoromethyl)thio]- and the Systematic name about this chemical is 2-(methylsulfonyl)-1-[3-(trifluoromethyl)phenyl]ethanone. It belongs to the following product categories, such as Amines, C₈, Nitrogen Compounds and so on.

Physical properties about 4-(Trifluoromethylthio)benzylamine are: (1)ACD/LogP: 1.32; (2)ACD/LogD (pH 5.5): 1.32; (3)ACD/LogD (pH 7.4): 1.32; (4)ACD/BCF (pH 5.5): 5.93; (5)ACD/BCF (pH 7.4): 5.93; (6)ACD/KOC (pH 5.5): 124.46; (7)ACD/KOC (pH 7.4): 124.46; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 59.59Å²; (11)Index of Refraction: 1.48; (12)Molar Refractivity: 54.56 cm³; (13)Molar Volume: 192 cm³; (14)Polarizability: 21.63x10^-24cm³; (15)Surface Tension: 36.7 dyne/cm; (16)Enthalpy of Vaporization: 63.13 kJ/mol; (17)Vapour Pressure: 4.58E-06 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(C(=O)CS(=O)(=O)C)c1
(2)InChI: InChI=1/C10H9F3O3S/c1-17(15,16)6-9(14)7-3-2-4-8(5-7)10(11,12)13/h2-5H,6H2,1H3
(3)InChIKey: DKOAKSYPFZFHMT-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H9F3O3S/c1-17(15,16)6-9(14)7-3-2-4-8(5-7)10(11,12)13/h2-5H,6H2,1H3
(5)Std. InChIKey: DKOAKSYPFZFHMT-UHFFFAOYSA-N