≥97% 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.
application：
3-Methyl-4-nitrobenzyl alcohol was used as starting reagent in the synthesis of 3-methyl-4-iodophenylalanine.
| Pubchem Sid | 488190523 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190523 |
| Canonical Smiles | CC1=C(C=CC(=C1)CO)[N+](=O)[O-] |
| IUPAC Name | (3-methyl-4-nitrophenyl)methanol |
| InChIKey | KOVQGYQQVNCUBR-UHFFFAOYSA-N |
| INCHI | 1S/C8H9NO3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-4,10H,5H2,1H3 |
| Isomeric SMILES | CC1=C(C=CC(=C1)CO)[N+](=O)[O-] |
| Molecular Weight | 167.16 |
| Reaxy-Rn | 2363298 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2363298&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 Nitroaromatic compounds Benzyl alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitrotoluene - Benzyl alcohol - Nitroaromatic compound - Toluene - 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 zwitterion - Aromatic alcohol - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organopnictogen compound - Organic nitrogen compound - Organic oxygen 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 |
|---|---|---|---|
 D2321463 | Certificate of Analysis | Feb 04, 2026 | M349687 |
| D2321473 | Certificate of Analysis | Feb 04, 2026 | M349687 |
| D2321477 | Certificate of Analysis | Feb 04, 2026 | M349687 |
| K2211623 | Certificate of Analysis | Aug 18, 2025 | M349687 |
| K2211622 | Certificate of Analysis | Aug 12, 2025 | M349687 |
| K2211630 | Certificate of Analysis | Aug 12, 2025 | M349687 |
| K2211651 | Certificate of Analysis | Aug 12, 2025 | M349687 |
| Melt Point(°C) | 57-61°C |
|---|---|
| Molecular Weight | 167.160 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 167.058 Da |
| Monoisotopic Mass | 167.058 Da |
| Topological Polar Surface Area | 66.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 166.000 |
| 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 |
