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(E)-1-Fluoro-4-(2-nitrovinyl)benzene - 98%, high purity , CAS No.5153-69-5
Basic Description
Synonyms
Benzene, 1-fluoro-4-(2-nitroethenyl)- | 1-fluoro-4-(2-nitrovinyl)benzene | alpha,alpha-Dimethyl-beta-hydroxypropionaldehyde | AMY13658 | DTXSID6060501 | trans p-Fluorophenyl-1 nitro-2 ethylene | AKOS017269588 | NSC 121154 | Styrene, p-fluoro-beta-nitro- |
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C,Desiccated
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
Styrenes
Intermediate Tree Nodes
Not available
Direct Parent
Styrenes
Alternative Parents
Fluorobenzenes Aryl fluorides C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Styrene - 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 - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - 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 styrenes. These are organic compounds containing an ethenylbenzene moiety.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-fluoro-4-[(E)-2-nitroethenyl]benzene
INCHI
InChI=1S/C8H6FNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H/b6-5+
InChIKey
VRFSQVFSQAYHRU-AATRIKPKSA-N
Smiles
C1=CC(=CC=C1C=C[N+](=O)[O-])F
Isomeric SMILES
C1=CC(=CC=C1/C=C/[N+](=O)[O-])F
NSC Number
NSC Number': ['121154
Molecular Weight
167.14
Reaxy-Rn
2045554
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045554&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
167.140 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
167.038 Da
Monoisotopic Mass
167.038 Da
Topological Polar Surface Area
45.800 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
180.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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