Product Name

  • Name

    4-Acetyl-2,2-difluoro-1,3-benzodioxole

  • EINECS
  • CAS No. 126120-83-0
  • Density 1.42g/cm3
  • Solubility
  • Melting Point
  • Formula C9H6F2O3
  • Boiling Point 232.8°Cat760mmHg
  • Molecular Weight 200.142
  • Flash Point 92°C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 126120-83-0 (4-Acetyl-2,2-difluoro-1,3-benzodioxole)
  • Hazard Symbols IrritantXi
  • 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
  • PSA 35.53000
  • LogP 2.21070

4-Acetyl-2,2-difluoro-1,3-benzodioxole 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

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