≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180227 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180227 |
| Canonical Smiles | CC1=CC(=C(C=C1)C)[N+](=O)[O-] |
| IUPAC Name | 1,4-dimethyl-2-nitrobenzene |
| InChIKey | BSFHJMGROOFSRA-UHFFFAOYSA-N |
| INCHI | 1S/C8H9NO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3 |
| Isomeric SMILES | CC1=CC(=C(C=C1)C)[N+](=O)[O-] |
| RTECS | ZE4686600 |
| UN Number | 1665 |
| Packing Group | II |
| Molecular Weight | 151.17 |
| Reaxy-Rn | 2045106 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045106&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitrotoluenes p-Xylenes Nitroaromatic 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 | Nitrobenzene - Nitrotoluene - Nitroaromatic compound - P-xylene - Xylene - 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 - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2114032 | Certificate of Analysis | Sep 17, 2025 | D155940 |
| D2320536 | Certificate of Analysis | Mar 28, 2023 | D155940 |
| D2320537 | Certificate of Analysis | Mar 28, 2023 | D155940 |
| D2320555 | Certificate of Analysis | Mar 28, 2023 | D155940 |
| D2320556 | Certificate of Analysis | Mar 28, 2023 | D155940 |
| D2320808 | Certificate of Analysis | Mar 28, 2023 | D155940 |
| D2320813 | Certificate of Analysis | Mar 28, 2023 | D155940 |
| D2320825 | Certificate of Analysis | Mar 28, 2023 | D155940 |
| D2320826 | Certificate of Analysis | Mar 28, 2023 | D155940 |
| F1903135 | Certificate of Analysis | Mar 13, 2023 | D155940 |
| Refractive Index | 1.54 |
|---|---|
| Flash Point(°C) | 104 °C |
| Boil Point(°C) | 104 °C/6 mmHg |
| Molecular Weight | 151.160 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 151.063 Da |
| Monoisotopic Mass | 151.063 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 153.000 |
| 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. Bingbing Cheng, Xinming Fu, Yiheng Song, Zehao Li, Puxin Weng, Xianze Yin. (2023) A versatile MOF liquids-based Janus fibrous membrane towards complex oil/water separation and heavy metal ions removal. SEPARATION AND PURIFICATION TECHNOLOGY, [PMID:] [10.1016/j.seppur.2023.125701] |
| 2. Hongyue Guo, Renhua Liu, Jinjin Yang, Bingcheng Yang, Xinmiao Liang, Changhu Chu. (2011) A novel click lysine zwitterionic stationary phase for hydrophilic interaction liquid chromatography. JOURNAL OF CHROMATOGRAPHY A, [PMID:22226552] [10.1016/j.chroma.2011.12.033] |
