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113770-65-3

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Basic Information
CAS No.: 113770-65-3
Name: cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-p-toluenesulfonate
Article Data: 11
Molecular Structure:
Molecular Structure of 113770-65-3 (cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-p-toluenesulfonate)
Formula: C20H19 Cl2 N3 O5 S
Molecular Weight: 484.36
Synonyms: 1,3-Dioxolane-4-methanol,2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-,4-methylbenzenesulfonate (ester), (2R,4R)-rel- (9CI);1,3-Dioxolane-4-methanol,2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-,4-methylbenzenesulfonate (ester), cis-(?à)-;1,3-Dioxolane-4-methanol,2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-,4-methylbenzenesulfonate (ester), cis-;
Density: 1.49
Boiling Point: 657.7±65.0 °C(Predicted)
PSA: 100.92000
LogP: 4.64800
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Specification

The cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-p-toluenesulfonate ,with the CAS register number 113770-65-3, has other names as cis-(±)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol 4-methylbenzenesulfonate , cis-(∴)-2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol 4-methylbenzenesulfonate , cis-[2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-p-toluenesulfonate;CIS-TRITOSYLATE . It has the systematic name of benzenesulfonic acid,2-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]-4-methyl-,ion(1-) .

Properties of this kind of chemical are as below: (1)ACD/BCF (pH 5.5):  1  ; (2)ACD/BCF (pH 7.4):  1  ; (3)ACD/KOC (pH 5.5):  1  ; (4)ACD/KOC (pH 7.4):  1  ; (5)#H bond acceptors:  8  ; (6)#H bond donors:  1  ; (7)#Freely Rotating Bonds:  6  ; (8)Polar Surface Area:  114.75   ; (9)Index of Refraction:  1.671  ; (10)Molar Refractivity:  117.52 cm3  ; (11)Molar Volume:  314.1 cm3  ; (12)Polarizability:  46.58 ×10-24cm3  ; (13)Surface Tension:  59.1 dyne/cm  ; (14)Density:  1.54 g/cm3. It belongs to the product categories of pharmaceutical intermediates.

In addition, you could convert the following data into molecular structure:
SMILES: Cc1ccc(c(c1)CC2COC(O2)(Cn3cncn3)c4ccc(cc4Cl)Cl)S(=O)(=O)[O-]
InChI: InChI=1/C20H19Cl2N3O5S/c1-13-2-5-19(31(26,27)28)14(6-13)7-16-9-29-20(30-16,10-25-12-23-11-24-25)17-4-3-15(21)8-18(17)22/h2-6,8,11-12,16H,7,9-10H2,1H3,(H,26,27,28)/p-1
InChIKey: UHDXGMKHRAIXID-REWHXWOFAM

As to its market information, there are many suppliers around the world, such as ratiochem GmbH , Zhejiang Huafang Pharmaceutical Co., Ltd. and SinovaChem Co., Ltd .