Cas no 5310-45-2 (1,3-Benzenedicarbonyl difluoride (9CI))
5310-45-2 structure
Product Name:1,3-Benzenedicarbonyl difluoride (9CI)
CAS No:5310-45-2
MF:C8H4F2O2
MW:170.112969398499
CID:372566
Update Time:2024-01-28
1,3-Benzenedicarbonyl difluoride (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarbonyl difluoride (9CI)
- 1,3-Benzenedicarbonyldifluoride
- benzene-1,3-dicarbonyl fluoride
- 1,3-Benzenedicarbonyl difluoride
-
- Inchi： 1S/C8H4F2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H
- InChI Key： MMIBBBCIWMMQGZ-UHFFFAOYSA-N
- SMILES： C1(C(F)=O)=CC=CC(C(F)=O)=C1
Computed Properties
- Exact Mass: 353.0005
- Monoisotopic Mass: 170.018
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 183
- 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: 2.6
- Topological Polar Surface Area: 34.1A^2
Experimental Properties
- Density: 1.5
- Melting Point: 40 °C
- Boiling Point: 508.1°Cat760mmHg
- Flash Point: 261.1°C
- Refractive Index: 1.675
- PSA: 87.09
1,3-Benzenedicarbonyl difluoride (9CI) Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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