cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-p-toluenesulfonate supplier

Name
cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-p-toluenesulfonate
EINECS
CAS No. 113770-65-3
Article Data11
CAS DataBase
Density 1.49
Solubility
Melting Point
Formula C₂₀H₁₉ C_l2 N₃ O₅ S
Boiling Point 657.7±65.0 °C(Predicted)
Molecular Weight 484.36
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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-;
PSA 100.92000
LogP 4.64800

cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-p-toluenesulfonate 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 .

Product Name

cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-p-toluenesulfonate

cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-p-toluenesulfonate Specification

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