Cas no 885963-50-8 ([1,1'-Biphenyl]-4-methanol,3',5'-difluoro-)
![[1,1'-Biphenyl]-4-methanol,3',5'-difluoro- structure](https://ossimg.kuujia.com/scimg/886000/885963-50-8x500.png)
885963-50-8 structure
Product Name:[1,1'-Biphenyl]-4-methanol,3',5'-difluoro-
CAS No:885963-50-8
MF:C13H10F2O
MW:220.214710712433
CID:712001
Update Time:2024-01-31
[1,1'-Biphenyl]-4-methanol,3',5'-difluoro- Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-4-methanol,3',5'-difluoro-
- [4-(2,6-difluorophenyl)phenyl]methanol
- 4-(2,6-Difluorophenyl)benzyl alcohol
- [1,1'-Biphenyl]-4-methanol,3',5'-difluoro
- 4-(3,5-Difluorophenyl)benzyl alcohol
- [4-(3,5-difluorophenyl)phenyl]methanol
- [1,1'-Biphenyl]-4-methanol, 3',5'-difluoro-
-
- MDL： MFCD06858702
- Inchi： 1S/C13H10F2O/c14-12-5-11(6-13(15)7-12)10-3-1-9(8-16)2-4-10/h1-7,16H,8H2
- InChI Key： ZXSVUJOHOVCESC-UHFFFAOYSA-N
- SMILES： C1(C2=CC(F)=CC(F)=C2)=CC=C(CO)C=C1
Computed Properties
- Exact Mass: 220.07000
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 204
- 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: 2.9
Experimental Properties
- Density: 1.244±0.06 g/cm3(Predicted)
- Boiling Point: 336.1±37.0 °C(Predicted)
- PSA: 20.23000
- LogP: 3.12410
- pka: 14.15±0.10(Predicted)
[1,1'-Biphenyl]-4-methanol,3',5'-difluoro- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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