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4-(3,5-Difluorophenyl)aniline - 98%, high purity , CAS No.405058-00-6
Discover 4-(3,5-Difluorophenyl)aniline by Aladdin Scientific in 98% for only $2,349.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
405058-00-6 | 3',5'-Difluoro-[1,1'-biphenyl]-4-amine | 4-(3,5-Difluorophenyl)aniline | SCHEMBL2320384 | 3',5'-difluoro-4-biphenylamine | DTXSID20609771 | SNRIKEFXLUJEQK-UHFFFAOYSA-N | 3',5'-Difluoro-biphenyl-4-amine | 3',5'-difluoro-biphenyl-4-ylamine | MFCD12824048 | AKOS01
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenyls and derivatives
Alternative Parents
Aniline and substituted anilines Fluorobenzenes Aryl fluorides Primary amines Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Biphenyl - Aniline or substituted anilines - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
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-(3,5-difluorophenyl)aniline
INCHI
InChI=1S/C12H9F2N/c13-10-5-9(6-11(14)7-10)8-1-3-12(15)4-2-8/h1-7H,15H2
InChIKey
SNRIKEFXLUJEQK-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1C2=CC(=CC(=C2)F)F)N
Isomeric SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2)F)F)N
Molecular Weight
205.2
Reaxy-Rn
35508951
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35508951&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
205.200 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
205.07 Da
Monoisotopic Mass
205.07 Da
Topological Polar Surface Area
26.000 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
192.000
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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