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2-Fluoro-4-nitroaniline - 95%, high purity , CAS No.369-35-7
Basic Description
Synonyms
Aniline, 2-fluoro-4-nitro- | SR-01000075604 | 4-Nitro-2-fluoroaniline | J-509424 | AS-13216 | SB76026 | AE-562/43459477 | AM61494 | EINECS 206-719-8 | 4-(4-[Bis(2-chloroethyl)amino]phenyl)butyric acid | F0798 | Z381352378 | LETNCFZQCNCACQ-UHFFFAOYSA-N | C
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitroaromatic compounds Aniline and substituted anilines Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organic zwitterion - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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
488187249
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488187249
IUPAC Name
2-fluoro-4-nitroaniline
INCHI
InChI=1S/C6H5FN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
InChIKey
LETNCFZQCNCACQ-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1[N+](=O)[O-])F)N
Isomeric SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)N
WGK Germany
3
Molecular Weight
156.11
Reaxy-Rn
2936773
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2936773&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
122-130°C
Molecular Weight
156.110 g/mol
XLogP3
1.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
156.034 Da
Monoisotopic Mass
156.034 Da
Topological Polar Surface Area
71.800 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
159.000
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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D1819064