≥96% 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 | 488193432 |
|---|---|
| Canonical Smiles | CC(C)(C)OC(=O)NC1=CC=C(C=C1)C=O |
| IUPAC Name | tert-butyl N-(4-formylphenyl)carbamate |
| InChIKey | SVQVBAUJEKSBEC-UHFFFAOYSA-N |
| INCHI | 1S/C12H15NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h4-8H,1-3H3,(H,13,15) |
| Isomeric SMILES | CC(C)(C)OC(=O)NC1=CC=C(C=C1)C=O |
| WGK Germany | 3 |
| Molecular Weight | 221.25 |
| Reaxy-Rn | 5810643 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5810643&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 | Phenylcarbamic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylcarbamic acid esters |
| Alternative Parents | Benzoyl derivatives Benzaldehydes Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylcarbamic acid ester - Benzaldehyde - Benzoyl - Aryl-aldehyde - Carbamic acid ester - Carbonic acid derivative - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids. |
| 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 |
|---|---|---|---|
 E2331080 | Certificate of Analysis | Mar 16, 2026 | B167305 |
| E2331072 | Certificate of Analysis | Mar 16, 2026 | B167305 |
| F1912156 | Certificate of Analysis | Jan 17, 2025 | B167305 |
| L2420238 | Certificate of Analysis | Jan 03, 2025 | B167305 |
| Melt Point(°C) | 140℃ |
|---|---|
| Molecular Weight | 221.250 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 221.105 Da |
| Monoisotopic Mass | 221.105 Da |
| Topological Polar Surface Area | 55.400 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 249.000 |
| 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 |
