≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
Description
The kinetics of proton transfer from benzoylnitromethane to various bases was studied.
| Pubchem Sid | 504756241 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756241 |
| Canonical Smiles | C1=CC=C(C=C1)C(=O)C[N+](=O)[O-] |
| IUPAC Name | 2-nitro-1-phenylethanone |
| InChIKey | JTWHVBNYYWFXSI-UHFFFAOYSA-N |
| INCHI | 1S/C8H7NO3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2 |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)C[N+](=O)[O-] |
| WGK Germany | 3 |
| Molecular Weight | 165.15 |
| Reaxy-Rn | 973465 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=973465&ln= |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Benzoyl derivatives Aryl alkyl ketones C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2311280 | Certificate of Analysis | Jun 11, 2026 | B472535 |
| I2311281 | Certificate of Analysis | Jun 11, 2026 | B472535 |
| I2311282 | Certificate of Analysis | Jun 11, 2026 | B472535 |
| I2311329 | Certificate of Analysis | Jun 11, 2026 | B472535 |
| I2311330 | Certificate of Analysis | Jun 11, 2026 | B472535 |
| I2311331 | Certificate of Analysis | Jun 11, 2026 | B472535 |
| Sensitivity | Moisture sensitive |
|---|---|
| Melt Point(°C) | 102°C-107°C |
| Molecular Weight | 165.150 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 165.043 Da |
| Monoisotopic Mass | 165.043 Da |
| Topological Polar Surface Area | 62.900 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 179.000 |
| 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 |
| 1. Caiyun Xu, Qi Li, Qiuyang Zhang, Kaijie Li, Hongfeng Yin, Shenghu Zhou. (2019) Structural Identification and Enhanced Catalytic Performance of Alumina-Supported Well-Defined Rh-SnO2 Close-Contact Heteroaggragate Nanostructures. ACS Applied Nano Materials, [PMID:] [10.1021/acsanm.9b01000] |
