Cas no 221202-16-0 (Benzonitrile,6-(difluoromethoxy)-2,3-difluoro-)
221202-16-0 structure
Product Name:Benzonitrile,6-(difluoromethoxy)-2,3-difluoro-
CAS No:221202-16-0
MF:C8H3F4NO
MW:205.109135866165
CID:244182
PubChem ID:45073726
Update Time:2025-04-19
Benzonitrile,6-(difluoromethoxy)-2,3-difluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,6-(difluoromethoxy)-2,3-difluoro-
- 6-(difluoromethoxy)-2,3-difluorobenzonitrile
- 6-DIFLUOROMETHOXY-2,3-DIFLUORO-BENZONITRILE
- LogP
- 221202-16-0
- DTXSID70662831
-
- Inchi： 1S/C8H3F4NO/c9-5-1-2-6(14-8(11)12)4(3-13)7(5)10/h1-2,8H
- InChI Key： JQYOTZFFEMCLFV-UHFFFAOYSA-N
- SMILES： FC1=C(C=CC(=C1C#N)OC(F)F)F
Computed Properties
- Exact Mass: 205.01509
- Monoisotopic Mass: 205.015
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 239
- 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: 33A^2
- XLogP3: 2.8
Experimental Properties
- Density: 1.432
- Boiling Point: 238.866°C at 760 mmHg
- Flash Point: 98.263°C
- Refractive Index: 1.445
- PSA: 33.02
Benzonitrile,6-(difluoromethoxy)-2,3-difluoro- Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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