3-(TRIFLUOROMETHYL)BENZYL MERCAPTAN

The CAS register number of Benzenemethanethiol,3-(trifluoromethyl)- is 25697-55-6. It also can be called as 3-(Trifluoromethyl)toluene-a-thiol and the IUPAC name about this chemical is [3-(trifluoromethyl)phenyl]methanethiol. The molecular formula about this chemical is C₈H₇F₃S and the molecular weight is 192.2.

Physical properties about Benzenemethanethiol,3-(trifluoromethyl)- are: (1)ACD/LogP: 3.31; (2)ACD/LogD (pH 5.5): 3.31; (3)ACD/LogD (pH 7.4): 3.31; (4)ACD/BCF (pH 5.5): 193.25; (5)ACD/BCF (pH 7.4): 191.64; (6)ACD/KOC (pH 5.5): 1506.59; (7)ACD/KOC (pH 7.4): 1494.04; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 25.3 Å²; (10)Index of Refraction: 1.486; (11)Molar Refractivity: 44.04 cm³; (12)Molar Volume: 153.3 cm³; (13)Polarizability: 17.46x10^-24cm³; (14)Surface Tension: 28.1 dyne/cm; (15)Density: 1.253 g/cm³; (16)Flash Point: 74.1 °C; (17)Enthalpy of Vaporization: 41.6 kJ/mol; (18)Boiling Point: 197.5 °C at 760 mmHg; (19)Vapour Pressure: 0.53 mmHg at 25 °C.

Uses of Benzenemethanethiol,3-(trifluoromethyl)-: it can be used to produce 6,8-dibromo-5-methyl-3-(3-trifluoromethyl-benzylsulfanylmethyl)-imidazo[1,2-a]pyridine with (6,8-dibromo-5-methyl-imidazo[1,2-a]pyridin-3-yl)-methanol. This reaction will need reagent of acetic acid and the reaction temperature is 100 °C. The yield is about 39%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable protective clothing and gloves. When you are using it, do not breathe vapour. It is slightly hazardous to water, and if no official permission, do not put materials into the permission surroundings. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide, air. If you use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1)CS
(2)InChI: InChI=1/C8H7F3S/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4,12H,5H2
(3)InChIKey: CQIQWIMXCPTQPJ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H7F3S/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4,12H,5H2
(5)Std. InChIKey: CQIQWIMXCPTQPJ-UHFFFAOYSA-N