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3-Chloro-2,6-difluorophenol - 98%, high purity , CAS No.261762-51-0
Basic Description
Synonyms
3-Chloro-2,6-difluorophenol | 261762-51-0 | Phenol, 3-chloro-2,6-difluoro- | 3-chloranyl-2,6-bis(fluoranyl)phenol | 3-CHLORO-2,6-DIFLUOROPHENOL97 | SCHEMBL739256 | DTXSID20378556 | CCLYWHXHYLQWQK-UHFFFAOYSA-N | 3-Chloro-2,6-difluorophenol 97 | MFCD01631330 | AKOS006229371 | PS
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Halophenols
Intermediate Tree Nodes
Fluorophenols
Direct Parent
O-fluorophenols
Alternative Parents
M-chlorophenols Fluorobenzenes Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids Aryl fluorides Aryl chlorides Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-chlorophenol - 2-fluorophenol - 1-hydroxy-4-unsubstituted benzenoid - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-fluorophenols. These are fluorophenols carrying a iodine at the C2 position of the benzene ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488193515
IUPAC Name
3-chloro-2,6-difluorophenol
INCHI
InChI=1S/C6H3ClF2O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
InChIKey
CCLYWHXHYLQWQK-UHFFFAOYSA-N
Smiles
C1=CC(=C(C(=C1F)O)F)Cl
Isomeric SMILES
C1=CC(=C(C(=C1F)O)F)Cl
Molecular Weight
164.5
Reaxy-Rn
18876786
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18876786&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
164.540 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
163.984 Da
Monoisotopic Mass
163.984 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
122.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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J2111231