≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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.
3-Nitrobenzyl alcohol (3-NBA) is most commonly used matrix for spectrometry methods. It helps in the analysis of porphyrins, cyclic peptides, alkali metal cationized fatty acids for collisional activation and also certain organoruthenium compounds.
| Pubchem Sid | 488184276 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184276 |
| Canonical Smiles | C1=CC(=CC(=C1)[N+](=O)[O-])CO |
| IUPAC Name | (3-nitrophenyl)methanol |
| InChIKey | CWNPOQFCIIFQDM-UHFFFAOYSA-N |
| INCHI | 1S/C7H7NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2 |
| Isomeric SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CO |
| WGK Germany | 3 |
| RTECS | DP0657000 |
| Molecular Weight | 153.14 |
| Beilstein | 2044770 |
| Reaxy-Rn | 2044769 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044769&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 | 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 - Benzyl alcohol - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alcohol - Hydrocarbon derivative - Organic zwitterion - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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 | a small molecule |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2625062 | Certificate of Analysis | Jul 03, 2026 | N159634 |
| D2221002 | Certificate of Analysis | Feb 04, 2026 | N159634 |
| D2221003 | Certificate of Analysis | Feb 04, 2026 | N159634 |
| D2221006 | Certificate of Analysis | Feb 04, 2026 | N159634 |
| D2030029 | Certificate of Analysis | Feb 23, 2024 | N159634 |
| D2327031 | Certificate of Analysis | Feb 19, 2022 | N159634 |
| L2412155 | Certificate of Analysis | Feb 19, 2022 | N159634 |
| Solubility | It is soluble in water. |
|---|---|
| Sensitivity | Air sensitive |
| Flash Point(°F) | 233.6 °F |
| Flash Point(°C) | 112 °C |
| Boil Point(°C) | 175-180°C/3mmHg |
| Melt Point(°C) | 29-33℃ |
| Molecular Weight | 153.140 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 153.043 Da |
| Monoisotopic Mass | 153.043 Da |
| Topological Polar Surface Area | 66.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 143.000 |
| 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 |
