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4-Fluoro-N,N-diphenylaniline - 99%, high purity , CAS No.437-25-2
Basic Description
Synonyms
4-fluoro-N,N-diphenylaniline | Benzenamine, 4-fluoro-N,N-diphenyl- | MFCD00983609 | AS-60948 | F1179 | p-fluortriphenylamin | H11888 | AKOS037645475 | SCHEMBL8686283 | 4-Fluoro-n,n-diphenylbenzenamine | InChI=1/C18H14FN/c19-15-11-13-18(14-12-15)20(16-7-3-
Specifications & Purity
≥99%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Tertiary amines
Direct Parent
Triarylamines
Alternative Parents
Aniline and substituted anilines Fluorobenzenes Aryl fluorides Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Tertiary aromatic amine - Aniline or substituted anilines - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organopnictogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
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
504769022
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504769022
IUPAC Name
4-fluoro-N,N-diphenylaniline
INCHI
InChI=1S/C18H14FN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKey
LQDQVCOHANBTIC-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)F
Isomeric SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)F
Molecular Weight
263.31
Reaxy-Rn
2975731
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2975731&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
205 °C/15 mmHg
Melt Point(°C)
101 °C
Molecular Weight
263.300 g/mol
XLogP3
5.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
263.111 Da
Monoisotopic Mass
263.111 Da
Topological Polar Surface Area
3.200 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
255.000
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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L2010125