Cas no 91410-83-2 (difluoro(phosphono)acetic acid)
91410-83-2 structure
Product Name:difluoro(phosphono)acetic acid
CAS No:91410-83-2
MF:C2H3F2O5P
MW:176.012789011002
CID:1963818
PubChem ID:471186
Update Time:2025-04-21
difluoro(phosphono)acetic acid Chemical and Physical Properties
Names and Identifiers
-
- difluoro(phosphono)acetic acid
- acetic acid, 2,2-difluoro-2-phosphono-
- 2,2-difluoro-2-phosphonoacetic acid
- PEPKPVUYBKUJGW-UHFFFAOYSA-N
- DTXSID90238552
- alpha, alpha-Difluoro phosphonoacetic acid
- PEPKPVUYBKUJGW-UHFFFAOYSA-
- InChI=1/C2H3F2O5P/c3-2(4,1(5)6)10(7,8)9/h(H,5,6)(H2,7,8,9)
- Difluorophosphonoacetic acid
- 91410-83-2
- SCHEMBL6574411
- 2,2-difluoro-2-phosphono-acetic acid
- alpha,alpha-Difluorophosphonoacetic acid
- .alpha.,.alpha.-Difluoro phosphonoacetic acid
- .alpha., .alpha.-Difluoro phosphonoacetic acid
-
- Inchi： 1S/C2H3F2O5P/c3-2(4,1(5)6)10(7,8)9/h(H,5,6)(H2,7,8,9)
- InChI Key： PEPKPVUYBKUJGW-UHFFFAOYSA-N
- SMILES： P(C(C(=O)O)(F)F)(=O)(O)O
Computed Properties
- Exact Mass: 175.968616
- Monoisotopic Mass: 175.968616
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 194
- 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
- Topological Polar Surface Area: 94.8
- XLogP3: -1.3
Experimental Properties
- Density: 2.04
- Boiling Point: 393.9°C at 760 mmHg
- Flash Point: 192°C
- Refractive Index: 1.448
- PSA: 104.64000
- LogP: -0.15850
difluoro(phosphono)acetic acid Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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