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2-Chloro-1-(3,4-difluorophenyl)ethanol - 95%, high purity , CAS No.51336-97-1
Basic Description
Synonyms
EN300-295778 | alpha-(Chloromethyl)-3,4-difluorobenzenemethanol | AKOS017517782 | C8H7ClF2O | DTXSID601259298 | BS-53076 | SB37433 | BCP18012 | SB30071 | SB31792 | 2-Chloro-1-(3,4-difluorophenyl)ethanol | 2-Chloro-1-(3,4-difluoro-phenyl)-ethanol | SCHEMBL
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C,Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Fluorobenzenes
Alternative Parents
Aryl fluorides Secondary alcohols Chlorohydrins Organofluorides Organochlorides Hydrocarbon derivatives Aromatic alcohols Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Fluorobenzene - Aryl fluoride - Aryl halide - Chlorohydrin - Halohydrin - Secondary alcohol - Organochloride - Organohalogen compound - Alkyl chloride - Aromatic alcohol - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organooxygen compound - Alkyl halide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a 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
IUPAC Name
2-chloro-1-(3,4-difluorophenyl)ethanol
INCHI
InChI=1S/C8H7ClF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,12H,4H2
InChIKey
RYOLLNVCYSUXCP-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1C(CCl)O)F)F
Isomeric SMILES
C1=CC(=C(C=C1C(CCl)O)F)F
Molecular Weight
192.59
Reaxy-Rn
2415525
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2415525&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
192.590 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
192.015 Da
Monoisotopic Mass
192.015 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
145.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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