1,3-Benzodioxole,5-chloro-2,2-difluoro- (72769-08-5)

The 5-Chloro-2,2-difluoro-1,3-benzodioxole, with CAS registry number 72769-08-5, belongs to the following product categories: (1)Benzodiozoles, Benzodioxines &Benzodioxepines; (2)Halides; (3)Benzodiozoles, Benzodioxines & Benzodioxepines. It has the systematic name of 5-chloro-2,2-difluoro-1,3-benzodioxole.

Physical properties about this chemical are: (1)ACD/LogP: 3.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 986; (6)ACD/BCF (pH 7.4): 986; (7)ACD/KOC (pH 5.5): 4839; (8)ACD/KOC (pH 7.4): 4839; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 37.886 cm³; (15)Molar Volume: 121.86 cm³; (16)Polarizability: 15.019×10^-24cm³; (17)Surface Tension: 39.118 dyne/cm; (18)Enthalpy of Vaporization: 39.024 kJ/mol; (19)Vapour Pressure: 1.939 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 5-Chloro-2,2-difluoro-1,3-benzodioxole irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
Besides this, it is harmful by inhalation, in contact with skin and if swallowed.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2OC(F)(F)Oc2c1
(2)InChI: InChI=1/C7H3ClF2O2/c8-4-1-2-5-6(3-4)12-7(9,10)11-5/h1-3H
(3)InChIKey: CVICEEPAFUYBJG-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H3ClF2O2/c8-4-1-2-5-6(3-4)12-7(9,10)11-5/h1-3H
(5)Std. InChIKey: CVICEEPAFUYBJG-UHFFFAOYSA-N