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4-(Difluoromethyl)-1,2-difluorobenzene , CAS No.1214379-64-2
Discover 4-(Difluoromethyl)-1,2-difluorobenzene by Aladdin Scientific in for only $499.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-(DIFLUOROMETHYL)-1,2-DIFLUOROBENZENE | 1214379-64-2 | 3,4-Difluorobenzal fluoride | MFCD14698573 | DTXSID40673318 | UTOWIQSPHDVGDF-UHFFFAOYSA-N | BBL101530 | STL555326 | AKOS005259382 | CS-0455173 | FT-0682931 | 4-(Difluoromethyl)-1,2-difluorobenzene, AldrichCPR | 4-(Difluorom
Storage Temp
Room temperature
Shipped In
Normal
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 Organofluorides Hydrofluorocarbons Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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
4-(difluoromethyl)-1,2-difluorobenzene
INCHI
InChI=1S/C7H4F4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,7H
InChIKey
UTOWIQSPHDVGDF-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1C(F)F)F)F
Isomeric SMILES
C1=CC(=C(C=C1C(F)F)F)F
Molecular Weight
164.1
Reaxy-Rn
39113498
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39113498&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
164.100 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
164.025 Da
Monoisotopic Mass
164.025 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
126.000
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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