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4-(Trifluoromethylthio)benzylamine

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Name

4-(Trifluoromethylthio)benzylamine

EINECS N/A
CAS No. 128273-56-3 Density 1.386 g/cm3
PSA 51.32000 LogP 3.45750
Solubility N/A Melting Point 224-225 °C (760 MMHG)
Formula C8H8F3NS Boiling Point 382.9 °C at 760 mmHg
Molecular Weight 207.219 Flash Point 185.4 °C
Transport Information UN 3267 8/PG 2 Appearance N/A
Safety 26-27-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 128273-56-3 (4-(Trifluoromethylthio)benzylamine) Hazard Symbols CorrosiveC
Synonyms

4-(Trifluoromethylthio)benzylamine;[4-(Trifluoromethylthio)phenyl]methanamine;

 

4-(Trifluoromethylthio)benzylamine 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

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