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78914-94-0

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Basic Information
CAS No.: 78914-94-0
Name: 1-METHOXY-4-TRIFLUOROMETHYLSULFANYL-BENZENE
Article Data: 51
Molecular Structure:
Molecular Structure of 78914-94-0 (1-METHOXY-4-TRIFLUOROMETHYLSULFANYL-BENZENE)
Formula: C8H7F3OS
Molecular Weight: 208.204
Synonyms: 4-(Trifluoromethyl)thioanisole;4-Methoxyphenyl trifluoromethyl sulfide;
Density: 1.3 g/cm3
Boiling Point: 162.7 °C at 760 mmHg
Flash Point: 52.2 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 34.53000
LogP: 3.30710
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Specification

The Benzene, 1-methoxy-4-[(trifluoromethyl)thio]-, with the CAS registry number 78914-94-0, is also known as Methyl 4-[(trifluoromethyl)sulfanyl]phenyl ether. This chemical's molecular formula is C8H7F3OS and molecular weight is 208.2. What's more, its systematic name is 1-Methoxy-4-[(trifluoromethyl)sulfanyl]benzene.

Physical properties about Benzene, 1-methoxy-4-[(trifluoromethyl)thio]- are: (1)ACD/LogP: 3.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.95; (4)ACD/LogD (pH 7.4): 3.95; (5)ACD/BCF (pH 5.5): 588.98; (6)ACD/BCF (pH 7.4): 588.98; (7)ACD/KOC (pH 5.5): 3345.36; (8)ACD/KOC (pH 7.4): 3345.36; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.53 Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 46.12 cm3; (15)Molar Volume: 158.9 cm3; (16)Polarizability: 18.28×10-24 cm3; (17)Surface Tension: 32.1 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 52.2 °C; (20)Enthalpy of Vaporization: 38.29 kJ/mol; (21)Boiling Point: 162.7 °C at 760 mmHg; (22)Vapour Pressure: 2.79 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)Sc1ccc(cc1)OC
(2) InChI: InChI=1/C8H7F3OS/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2-5H,1H3
(3) InChIKey: PLIVNXMRWMEULU-UHFFFAOYAE