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86604-68-4

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Basic Information
CAS No.: 86604-68-4
Name: 2-[(4-METHOXY-3-METHYLPYRIDINYL)-METHYLSULFINYL]-5-TRIFLUOROMETHYLBENZIMIDAZOLE
Molecular Structure:
Molecular Structure of 86604-68-4 (2-[(4-METHOXY-3-METHYLPYRIDINYL)-METHYLSULFINYL]-5-TRIFLUOROMETHYLBENZIMIDAZOLE)
Formula: C16H14F3N3O2S
Molecular Weight: 369.3615
Synonyms: 1H-Benzimidazole,2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-5-(trifluoromethyl)-(9CI);B 823-10;H 200/68;
Density: 1.5 g/cm3
Boiling Point: 566.1 °C at 760 mmHg
Flash Point: 296.2 °C
PSA: 87.08000
LogP: 4.46720
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  • 1H-Benzimidazole,2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-6-(trifluoromethyl)-

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    86604-68-4

    1H-Benzimidazole,2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-6-(trifluoromethyl)-

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  • 2-[(4-METHOXY-3-METHYLPYRIDINYL)-METHYLSULFINYL]-5-TRIFLUOROMETHYLBENZO[D]IMIDAZOLE

  • Casno:

    86604-68-4

    2-[(4-METHOXY-3-METHYLPYRIDINYL)-METHYLSULFINYL]-5-TRIFLUOROMETHYLBENZO[D]IMIDAZOLE

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    2-[(4-METHOXY-3-METHYLPYRIDINYL)-METHYLSULFINYL]-5-TRIFLUOROMETHYLBENZO[D]IMIDAZOLEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by expres

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Specification

The 1H-Benzimidazole,2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-6-(trifluoromethyl)- is an organic compound with the formula C16H14F3N3O2S. The systematic name of this chemical is 2-{[(4-methoxy-3-methylpyridin-2-yl)methyl]sulfinyl}-6-(trifluoromethyl)-1H-benzimidazole. With the CAS registry number 86604-68-4, it is also named as 2-((3-Methyl-4-methoxy-2-pyridylmethyl)sulfinyl)-5-trifluoromethyl-1H-benzimidazole.

Physical properties about 1H-Benzimidazole,2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-6-(trifluoromethyl)- are: (1)ACD/LogP: 2.37; (2)ACD/LogD (pH 5.5): 2.33; (3)ACD/LogD (pH 7.4): 2.16; (4)ACD/BCF (pH 5.5): 34.12; (5)ACD/BCF (pH 7.4): 23.2; (6)ACD/KOC (pH 5.5): 424.87; (7)ACD/KOC (pH 7.4): 288.89; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 76.22 Å2; (12)Index of Refraction: 1.636; (13)Molar Refractivity: 88.02 cm3; (14)Molar Volume: 245.4 cm3; (15)Polarizability: 34.89×10-24cm3; (16)Surface Tension: 68.7 dyne/cm; (17)Density: 1.5 g/cm3; (18)Flash Point: 296.2 °C; (19)Enthalpy of Vaporization: 85.02 kJ/mol; (20)Boiling Point: 566.1 °C at 760 mmHg; (21)Vapour Pressure: 7.77E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c3cc1c(nc(n1)S(=O)Cc2nccc(OC)c2C)cc3
(2)InChI: InChI=1/C16H14F3N3O2S/c1-9-13(20-6-5-14(9)24-2)8-25(23)15-21-11-4-3-10(16(17,18)19)7-12(11)22-15/h3-7H,8H2,1-2H3,(H,21,22)
(3)InChIKey: OWWKQFJLNQHYQS-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C16H14F3N3O2S/c1-9-13(20-6-5-14(9)24-2)8-25(23)15-21-11-4-3-10(16(17,18)19)7-12(11)22-15/h3-7H,8H2,1-2H3,(H,21,22)
(5)Std. InChIKey: OWWKQFJLNQHYQS-UHFFFAOYSA-N