CAS No.2032-75-9,2,2-Dichloro-1,3-benzodioxole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2032-75-9
Name:	2,2-Dichloro-1,3-benzodioxole
Article Data:	16

Formula:	C₇H₄Cl₂O₂
Molecular Weight:	191.014
Synonyms:	2,2-Dichlorobenzodioxolane;2,2-Dichlorobenzodioxole;Pyrocatechol dichloromethylene acetal;2,2-Dichlorobenzo[1,3]dioxol;Benzene,1,2-[(dichloromethylene)dioxy]- (6CI,7CI,8CI);2,2-Dichloro-1,3-benzodioxole;
EINECS:	426-850-6
Density:	1.548 g/cm³
Boiling Point:	214.877 °C at 760 mmHg
Flash Point:	85.094 °C
Hazard Symbols:	Xi
PSA:	18.46000
LogP:	2.54670

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Specification

The CAS register number of 1,3-Benzodioxole,2,2-dichloro- is 2032-75-9. It also can be called as 1,2-(Dichloromethylenedioxy)benzene and the systematic name about this chemical is 2,2-dichloro-1,3-benzodioxole. The molecular formula about this chemical is C₇H₄Cl₂O₂ and the molecular weight is 191.01146.

Physical properties about 1,3-Benzodioxole,2,2-dichloro- are: (1)ACD/LogP: 4.15; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 30; (5)ACD/BCF (pH 7.4): 30; (6)ACD/KOC (pH 5.5): 401; (7)ACD/KOC (pH 7.4): 401; (8)#H bond acceptors: 2; (9)Polar Surface Area: 18.46Å²; (10)Index of Refraction: 1.605; (11)Molar Refractivity: 42.489 cm³; (12)Molar Volume: 123.409 cm³; (13)Polarizability: 16.844x10^-24cm³; (14)Surface Tension: 49.415 dyne/cm; (15)Flash Point: 85.094 °C; (16)Enthalpy of Vaporization: 43.282 kJ/mol; (17)Boiling Point: 214.877 °C at 760 mmHg; (18)Vapour Pressure: 0.223 mmHg at 25°C.

Preparation: this chemical can be prepared by benzo[1,3]dioxole. This reaction will need reagent phosphorus pentachloride.

Uses of 1,3-Benzodioxole,2,2-dichloro-: it can be used to produce 2,2-bis-(2-chloro-2-phenyl-ethyl)-benzo[1,3]dioxole with vinylbenzene. This reaction will need reagent ZnCl₂-Et₂O and solvent CH₂Cl₂ with reaction time of 22 hours. The yield is about 70%.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC1(Cl)Oc2ccccc2O1
(2)InChI: InChI=1/C7H4Cl2O2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-4H
(3)InChIKey: NMNKOUVBELKKTR-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H4Cl2O2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-4H
(5)Std. InChIKey: NMNKOUVBELKKTR-UHFFFAOYSA-N