≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
Description
4-Biphenylyl isocyanate,also known as 4-isocyanatobiphenyl, is an aryl isocyanate. Its enthalpy of vaporization at boiling point has been reported. Its density and refractive index are 1.1266g/cm3and 1.6060, respectively at 25°C.
| Pubchem Sid | 488194475 |
|---|---|
| Sorrisos canónicos | C1=CC=C(C=C1)C2=CC=C(C=C2)N=C=O |
| IUPAC Name | 1-isocyanato-4-phenylbenzene |
| InChIKey | WIRPZDICFIIBRF-UHFFFAOYSA-N |
| INCHI | 1S/C13H9NO/c15-10-14-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H |
| SMILES isoméricas | C1=CC=C(C=C1)C2=CC=C(C=C2)N=C=O |
| WGK Alemanha | 3 |
| Número UN | 3335 |
| Grupo de embalagem | III |
| Peso molecular | 195.22 |
| Reaxy-Rn | 389296 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=389296&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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | Isocyanates Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenyl - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Item |
|---|---|---|---|
 C2318391 | Certificate of Analysis | Jan 19, 2026 | B469866 |
| C2318392 | Certificate of Analysis | Jan 19, 2026 | B469866 |
| C2318393 | Certificate of Analysis | Jan 19, 2026 | B469866 |
| C2318395 | Certificate of Analysis | Jan 19, 2026 | B469866 |
| Ponto de ebulição (°C) | 110-112° C (lit.) at 1 mmHg |
|---|---|
| Ponto de fusão (°C) | 59-62° C (lit.) |
| Peso molecular | 195.220 g/mol |
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 195.068 Da |
| Monoisotopic Mass | 195.068 Da |
| Topological Polar Surface Area | 29.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 231.000 |
| 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 |
