≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1C(O1)C2=CC=C(C=C2)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 2-(4-nitrophenyl)oxirane |
| InChIKey | YKIUTLHCSNCTDZ-UHFFFAOYSA-N |
| INCHI | 1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2 |
| Isomeric SMILES | C1C(O1)C2=CC=C(C=C2)[N+](=O)[O-] |
| Alternate CAS | 6388-74-5,78038-43-4 |
| NSC Number | 72312 |
| MeSH Entry Terms | 4-nitrostyrene oxide;p-nitrostyrene 7,8-oxide;para-nitrostyrene oxide |
| Molecular Weight | 165.15 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Epoxides Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Dialkyl ether - Oxirane - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic 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 |
| Sensitivity | Moisture & air sensitive |
|---|---|
| Molecular Weight | 165.150 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 165.043 Da |
| Monoisotopic Mass | 165.043 Da |
| Topological Polar Surface Area | 58.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 181.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Huafeng Li, Hui Kong, Jianzhong Guo, Bing Li, Shanshan Zhang, Suzhi Li, Junwei Zhao, Liqun Bai. (2024) First Photocatalytic Synthesis of Cyclic Carbonates from CO2 Using Bromide-Functionalized Polyoxometalate without Additional Cocatalyst. ACS Sustainable Chemistry & Engineering, [PMID:] [10.1021/acssuschemeng.4c06676] |
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