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5-fluoro-4-iodo-2-methylaniline - 95%, high purity , CAS No.307306-08-7
Basic Description
Synonyms
5-Fluoro-4-iodo-2-methylaniline | 307306-08-7 | Benzenamine, 5-fluoro-4-iodo-2-methyl- | SCHEMBL15575436 | DTXSID00856660 | SOOKBJGPYYCNEA-UHFFFAOYSA-N | AS-76015 | CS-0112240 | D77068
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C
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
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Aminotoluenes
Alternative Parents
Aniline and substituted anilines Iodobenzenes Fluorobenzenes Aryl iodides Aryl fluorides Primary amines Organopnictogen compounds Organoiodides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminotoluene - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Iodobenzene - Aryl fluoride - Aryl halide - Aryl iodide - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Organoiodide - Organonitrogen compound - Primary amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
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
504772198
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504772198
IUPAC Name
5-fluoro-4-iodo-2-methylaniline
INCHI
InChI=1S/C7H7FIN/c1-4-2-6(9)5(8)3-7(4)10/h2-3H,10H2,1H3
InChIKey
SOOKBJGPYYCNEA-UHFFFAOYSA-N
Smiles
CC1=CC(=C(C=C1N)F)I
Isomeric SMILES
CC1=CC(=C(C=C1N)F)I
Molecular Weight
251.03
Reaxy-Rn
8831132
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8831132&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
251.040 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
250.961 Da
Monoisotopic Mass
250.961 Da
Topological Polar Surface Area
26.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
120.000
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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H2206511