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(2-CHLORO-4,5-DIFLUOROPHENYL)METHANOL , CAS No.288154-93-8
Basic Description
Synonyms
(2-chloro-4,5-difluorophenyl)methanol | 288154-93-8 | 2-Chloro-4,5-difluorobenzyl alcohol | SCHEMBL3824032 | 2,4-DIAMINOANISOLESULFATE | VPBQEWYEJDAYKP-UHFFFAOYSA-N | MFCD02063025 | 2-Chloro-4,5-difluorobenzenemethanol | AKOS006276277 | JS-4416 | SB84568 | (2-chloro-4,5-difluo
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyl alcohols
Intermediate Tree Nodes
Not available
Direct Parent
Benzyl alcohols
Alternative Parents
Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Primary alcohols Organofluorides Organochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzyl alcohol - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Organohalogen compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organochloride - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
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-4,5-difluorophenyl)methanol
INCHI
InChI=1S/C7H5ClF2O/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2,11H,3H2
InChIKey
VPBQEWYEJDAYKP-UHFFFAOYSA-N
Smiles
C1=C(C(=CC(=C1F)F)Cl)CO
Isomeric SMILES
C1=C(C(=CC(=C1F)F)Cl)CO
Molecular Weight
178.567
Reaxy-Rn
14399162
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14399162&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
178.560 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
178 Da
Monoisotopic Mass
178 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
134.000
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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