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Basic Information
CAS No.: 95-59-0
Name: 2,3-DICHLORO-P-DIOXANE
Molecular Structure:
Molecular Structure of 95-59-0 (2,3-DICHLORO-P-DIOXANE)
Formula: C4H6Cl2O2
Molecular Weight: 156.996
Synonyms: p-Dioxane,2,3-dichloro- (6CI,7CI,8CI);2,3-Dichloro-1,4-dioxane;2,3-Dichloro-p-dioxane;NSC 2293;
EINECS: 202-435-3
Density: 1.38 g/cm3
Melting Point: 30°C
Boiling Point: 216.1 °C at 760 mmHg
Flash Point: 93.9 °C
PSA: 18.46000
LogP: 1.16300
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Specification

The 1,4-Dioxane,2,3-dichloro- is an organic compound with the formula C4H6Cl2O2. The IUPAC name of this chemical is 2,3-dichloro-1,4-dioxane. With the CAS registry number 95-59-0 and EINECS 202-435-3, it is also named as p-Dioxane, 2,3-dichloro-.

The other characteristics of this product can be summarized as: (1)(1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 1.3; (6)ACD/BCF (pH 7.4): 1.3; (7)ACD/KOC (pH 5.5): 41.99; (8)ACD/KOC (pH 7.4): 41.99; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.47; (13)Molar Refractivity: 31.62 cm3; (14)Molar Volume: 113.1 cm3; (15)Polarizability: 12.53×10-24 cm3; (16)Surface Tension: 34.8 dyne/cm; (17)Enthalpy of Vaporization: 43.4 kJ/mol; (18)Vapour Pressure: 0.209 mmHg at 25°C; (19)Exact Mass: 155.974485; (20)MonoIsotopic Mass: 155.974485; (21)Topological Polar Surface Area: 18.5; (22)Heavy Atom Count: 8; (23)Complexity: 68.4; (24)Undefined Atom StereoCenter Count: 2.

Preparation of 1,4-Dioxane,2,3-dichloro-: It can be obtained by [1,4]dioxane. This reaction needs reagent SO2Cl2 at temperature of 60 °C. The reaction time is 18 hours. The yield is 72%. 

Uses of 1,4-Dioxane,2,3-dichloro-: It can react with N,N-dimethyl dithiocarbamic acid sodium salt to get 2,3-bis-dimethylthiocarbamoylsulfanyl-[1,4]dioxane. This reaction needs reagent dimethylformamide at temperature of 60 °C. The reaction time is 3 hours. The yield is 71%.

People can use the following data to convert to the molecule structure. 
1. SMILES:ClC1OCCOC1Cl
2. InChI:InChI=1/C4H6Cl2O2/c5-3-4(6)8-2-1-7-3/h3-4H,1-2H2
3. InChIKey:ZOZUXFQYIYUIND-UHFFFAOYAV
4. Std. InChI:InChI=1S/C4H6Cl2O2/c5-3-4(6)8-2-1-7-3/h3-4H,1-2H2 
5. Std. InChIKey:ZOZUXFQYIYUIND-UHFFFAOYSA-N