≥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 | 488189445 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189445 |
| Canonical Smiles | C1=CC(=CC=C1COC(=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| IUPAC Name | bis[(4-nitrophenyl)methyl] propanedioate |
| InChIKey | RBVOYZBIDZCDBO-UHFFFAOYSA-N |
| INCHI | 1S/C17H14N2O8/c20-16(26-10-12-1-5-14(6-2-12)18(22)23)9-17(21)27-11-13-3-7-15(8-4-13)19(24)25/h1-8H,9-11H2 |
| Isomeric SMILES | C1=CC(=CC=C1COC(=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| Molecular Weight | 374.31 |
| Reaxy-Rn | 3499031 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3499031&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 | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Nitrobenzenes Nitroaromatic compounds Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
| External Descriptors | Not available |
| Melt Point(°C) | 89 °C |
|---|---|
| Molecular Weight | 374.300 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 374.075 Da |
| Monoisotopic Mass | 374.075 Da |
| Topological Polar Surface Area | 144.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 492.000 |
| 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 |
B2321142