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126120-83-0

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Basic Information
CAS No.: 126120-83-0
Name: 4-Acetyl-2,2-difluoro-1,3-benzodioxole
Molecular Structure:
Molecular Structure of 126120-83-0 (4-Acetyl-2,2-difluoro-1,3-benzodioxole)
Formula: C9H6F2O3
Molecular Weight: 200.142
Synonyms: 4-ACETYL-2,2-DIFLUORO-1,3-BENZODIOXOLE 98;4-Acetyl-2,2-difluoro-1,3-benzodioxole 98%;4-Acetyl-2,2-difluoro-1,3-benzodioxole;1-(2,2-Difluoro-1,3-benzodioxol-4-yl)ethan-1-one, 2,3-(Difluoromethylenedioxy)acetophenone
Density: 1.42g/cm3
Boiling Point: 232.8°Cat760mmHg
Flash Point: 92°C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 35.53000
LogP: 2.21070
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Specification

The 4-Acetyl-2,2-difluoro-1,3-benzodioxole with its cas register number is 126120-83-0. It also can be called as Ethanone,1-(2,2-difluoro-1,3-benzodioxol-4-yl)- and the Systematic name about this chemical is 1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethanone.

Physical properties about 4-Acetyl-2,2-difluoro-1,3-benzodioxole are: (1)ACD/LogP: 2.67; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 200; (5)ACD/BCF (pH 7.4): 200; (6)ACD/KOC (pH 5.5): 1545; (7)ACD/KOC (pH 7.4): 1545; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 35.53Å2; (11)Index of Refraction: 1.517; (12)Molar Refractivity: 42.429 cm3; (13)Molar Volume: 140.26 cm3; (14)Polarizability: 16.82x10-24cm3; (15)Surface Tension: 39.282 dyne/cm; (16)Enthalpy of Vaporization: 46.947 kJ/mol; (17)Vapour Pressure: 0.058 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1cccc2OC(F)(F)Oc12
(2)InChI: InChI=1/C9H6F2O3/c1-5(12)6-3-2-4-7-8(6)14-9(10,11)13-7/h2-4H,1H3
(3)InChIKey: FXQWZAIGWRETAQ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H6F2O3/c1-5(12)6-3-2-4-7-8(6)14-9(10,11)13-7/h2-4H,1H3
(5)Std. InChIKey: FXQWZAIGWRETAQ-UHFFFAOYSA-N