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Basic Description
| Synonyms | 2-Chloro-.beta.-nitrostyrene | Benzene,1-chloro-2-(2-nitroethenyl)- | A820907 | AKOS015912449 | EC 206-566-7 | NSC4779 | fluorinertr(fc-72) | 1-(2-Chlorophenyl)-2-nitroethylene | 2-chloro-2'-Nitrostyrene | Benzene, 1-chloro-2-[(E)-2-nitroethenyl]- | DTXSI |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Styrenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Styrenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Styrenes |
| Alternative Parents | Chlorobenzenes Aryl chlorides C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Styrene - Chlorobenzene - Halobenzene - Aryl chloride - 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 - Organochloride - 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488195479 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195479 |
| IUPAC Name | 1-chloro-2-[(E)-2-nitroethenyl]benzene |
| INCHI | InChI=1S/C8H6ClNO2/c9-8-4-2-1-3-7(8)5-6-10(11)12/h1-6H/b6-5+ |
| InChIKey | QHKJTRDWAZGBLR-AATRIKPKSA-N |
| Smiles | C1=CC=C(C(=C1)C=C[N+](=O)[O-])Cl |
| Isomeric SMILES | C1=CC=C(C(=C1)/C=C/[N+](=O)[O-])Cl |
| WGK Germany | 2 |
| Molecular Weight | 183.59 |
| Reaxy-Rn | 2328095 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2328095&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2206542 |
Certificate of Analysis | May 07, 2025 | C189105 |
| H2206544 |
Certificate of Analysis | May 07, 2025 | C189105 |
| H2206545 |
Certificate of Analysis | May 07, 2025 | C189105 |
| H2206541 |
Certificate of Analysis | May 07, 2025 | C189105 |
| H2206543 |
Certificate of Analysis | Jun 17, 2022 | C189105 |
Chemical and Physical Properties
| Flash Point(°F) | 230 °F |
|---|---|
| Flash Point(°C) | 110 °C |
| Melt Point(°C) | 45-49 °C |
| Molecular Weight | 183.590 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 183.009 Da |
| Monoisotopic Mass | 183.009 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 188.000 |
| 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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