Cas no 445-69-2 (1,2-Benzenedicarbonyl difluoride (9CI))
445-69-2 structure
Product Name:1,2-Benzenedicarbonyl difluoride (9CI)
CAS No:445-69-2
MF:C8H4F2O2
MW:170.112969398499
CID:324892
PubChem ID:21572631
Update Time:2025-04-19
1,2-Benzenedicarbonyl difluoride (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbonyl difluoride (9CI)
- Phthaloylfluoride (6CI,7CI,8CI)
- 1,2-Benzenedicarbonyldifluoride
- benzene-1,2-dicarbonyl fluoride
- phthaloyl difluoride
- Benzene-1,2-dicarbonyl difluoride
- 445-69-2
- SCHEMBL103048
- DTXSID90615940
-
- Inchi： 1S/C8H4F2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H
- InChI Key： OKZQOHHDISEJFI-UHFFFAOYSA-N
- SMILES： FC(C1C=CC=CC=1C(=O)F)=O
Computed Properties
- Exact Mass: 170.01792
- Monoisotopic Mass: 170.01793569g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 181
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Density: 1.3066
- Melting Point: 42.5°C
- Boiling Point: 227°C (rough estimate)
- PSA: 34.14
1,2-Benzenedicarbonyl difluoride (9CI) Related Literature
-
Dave J. Adams,James H. Clark Chem. Soc. Rev. 1999 28 225
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