Cas no 72912-50-6 (1,4-Benzodioxin,5,8-difluoro-2,3-dihydro-)
72912-50-6 structure
Product Name:1,4-Benzodioxin,5,8-difluoro-2,3-dihydro-
CAS No:72912-50-6
MF:C8H6F2O2
MW:172.128849506378
CID:551129
PubChem ID:4464242
Update Time:2025-04-19
1,4-Benzodioxin,5,8-difluoro-2,3-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzodioxin,5,8-difluoro-2,3-dihydro-
- 5,8-Difluoro-2,3-dihydro-1,4-benzodioxine
- SCHEMBL197752
- InChI=1/C8H6F2O2/c9-5-1-2-6(10)8-7(5)11-3-4-12-8/h1-2H,3-4H
- 72912-50-6
- 5,8-DIFLUORO-1,4-BENZODIOXAN
- VNPXSBILOLAXAT-UHFFFAOYSA-N
- 5,8-Difluoro-1,4-benzodioxan, 99%
- DTXSID90403566
- AKOS024055768
- 5,8-difluoro-1,4-benzodioxane
- 5,8-DIFLUORO-1,4-BENZODIXAN)
-
- Inchi： 1S/C8H6F2O2/c9-5-1-2-6(10)8-7(5)11-3-4-12-8/h1-2H,3-4H2
- InChI Key： VNPXSBILOLAXAT-UHFFFAOYSA-N
- SMILES： FC1=CC=C(C2=C1OCCO2)F
Computed Properties
- Exact Mass: 172.03358
- Monoisotopic Mass: 172.03358575g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- Density: 1.357
- Boiling Point: 195.5°C at 760 mmHg
- Flash Point: 78.5°C
- Refractive Index: 1.495
- PSA: 18.46
1,4-Benzodioxin,5,8-difluoro-2,3-dihydro- Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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