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2-Chloro-4-fluorophenol - ≥99.0%, high purity , CAS No.1996-41-4
Basic Description
Synonyms
A19902 | AKOS000119579 | DTXSID60173744 | J-012898 | EINECS 217-876-7 | Z104495502 | W-107658 | SCHEMBL104856 | C1598 | 1-Bromo-2,3,5-trifluorobezene | PS-8942 | 2-chlor-4-fluorophenol | MFCD00002168 | FT-0611771 | AC-5937 | EN300-21349 | InChI=1/C6H4ClFO
Specifications & Purity
≥99%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Halophenols
Intermediate Tree Nodes
Fluorophenols
Direct Parent
P-fluorophenols
Alternative Parents
O-chlorophenols Fluorobenzenes Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Aryl chlorides Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-fluorophenol - 2-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-fluorophenols. These are fluorophenols carrying a iodine at the C4 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
488184984
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488184984
IUPAC Name
2-chloro-4-fluorophenol
INCHI
InChI=1S/C6H4ClFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
InChIKey
IGYXYGDEYHNFFT-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1F)Cl)O
Isomeric SMILES
C1=CC(=C(C=C1F)Cl)O
WGK Germany
3
Molecular Weight
146.55
Beilstein
1861277
Reaxy-Rn
1861277
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1861277&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive
Refractive Index
1.53
Flash Point(°F)
167 °F
Flash Point(°C)
75°C
Boil Point(°C)
172°C
Melt Point(°C)
20-23°C
Molecular Weight
146.540 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
145.993 Da
Monoisotopic Mass
145.993 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
99.100
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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