Cas no 867366-83-4 (BENZONITRILE, 3-(DIFLUOROMETHOXY)-5-HYDROXY-)
3-(Difluoromethoxy)-5-hydroxybenzonitrile is a specialized organic compound featuring a benzonitrile core substituted with a difluoromethoxy group and a hydroxyl group at the 3- and 5-positions, respectively. This structure imparts unique physicochemical properties, including enhanced polarity and potential for hydrogen bonding, making it valuable in pharmaceutical and agrochemical research. The difluoromethoxy group contributes to improved metabolic stability and lipophilicity, while the hydroxyl group offers a reactive site for further functionalization. Its precise synthesis and high purity ensure reliability in applications such as intermediate synthesis or bioactive molecule development. The compound’s distinct electronic and steric profile makes it a versatile building block for designing advanced materials or biologically active compounds.
867366-83-4 structure
Product Name:BENZONITRILE, 3-(DIFLUOROMETHOXY)-5-HYDROXY-
CAS No:867366-83-4
MF:C8H5F2NO2
MW:185.127609014511
CID:3393817
PubChem ID:86078377
Update Time:2025-10-23
BENZONITRILE, 3-(DIFLUOROMETHOXY)-5-HYDROXY- Chemical and Physical Properties
Names and Identifiers
-
- BENZONITRILE, 3-(DIFLUOROMETHOXY)-5-HYDROXY-
- 867366-83-4
- 3-Cyano-5-(difluoromethoxy)phenol
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- Inchi: 1S/C8H5F2NO2/c9-8(10)13-7-2-5(4-11)1-6(12)3-7/h1-3,8,12H
- InChI Key: LXGRWOLRKTVMEP-UHFFFAOYSA-N
- SMILES: C(#N)C1=CC(O)=CC(OC(F)F)=C1
Computed Properties
- Exact Mass: 185.02883473Da
- Monoisotopic Mass: 185.02883473Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 213
- 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: 2.2
- Topological Polar Surface Area: 53.3?2
BENZONITRILE, 3-(DIFLUOROMETHOXY)-5-HYDROXY- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013000628-1g |
3-Cyano-5-(difluoromethoxy)phenol |
867366-83-4 | 97% | 1g |
$1504.90 | 2023-08-31 |
BENZONITRILE, 3-(DIFLUOROMETHOXY)-5-HYDROXY- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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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