≥98% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504752703 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752703 |
| Canonical Smiles | CC(C)C1=CC=C(C=C1)[N+](=O)[O-] |
| IUPAC Name | 1-nitro-4-propan-2-ylbenzene |
| InChIKey | JXMYUMNAEKRMIP-UHFFFAOYSA-N |
| INCHI | 1S/C9H11NO2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3 |
| Isomeric SMILES | CC(C)C1=CC=C(C=C1)[N+](=O)[O-] |
| Molecular Weight | 165.19 |
| Beilstein | 5(4)997 |
| Reaxy-Rn | 1863535 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1863535&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 | Phenylpropanes Cumenes 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 | Cumene - Nitrobenzene - Phenylpropane - Nitroaromatic compound - 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 oxide - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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 |
|---|---|---|---|
 D2601099 | Certificate of Analysis | Jun 14, 2024 | N159730 |
| J2530577 | Certificate of Analysis | Jun 14, 2024 | N159730 |
| K2506840 | Certificate of Analysis | Jun 14, 2024 | N159730 |
| B2423068 | Certificate of Analysis | Jul 24, 2023 | N159730 |
| G2329701 | Certificate of Analysis | Jul 24, 2023 | N159730 |
| G2331064 | Certificate of Analysis | Jul 24, 2023 | N159730 |
| L2411240 | Certificate of Analysis | Jul 24, 2023 | N159730 |
| Refractive Index | 1.54 |
|---|---|
| Flash Point(°F) | 126°C(lit.) |
| Flash Point(°C) | 126°C |
| Boil Point(°C) | 142°C/18mmHg(lit.) |
| Melt Point(°C) | 2 °C |
| Molecular Weight | 165.190 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 165.079 Da |
| Monoisotopic Mass | 165.079 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 154.000 |
| 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 |
