≥95%(HPLC), ~0.5M in tert-butyl methyl ether for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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-Azidotoluene is an aromatic azide generally used in copper(I)-catalyzed azide-alkyne cycloaddition reactions.4-Azidotoluene solution may be used for the functionalization at the axial position of boron subphthalocyanines with a terminal acetylene functionality via copper(I)-catalyzed azide-alkyne cycloaddition in the presence of Hunig′s base.
| 정식 스마일 | CC1=CC=C(C=C1)N=[N+]=[N-] |
|---|---|
| IUPAC Name | 1-azido-4-methylbenzene |
| InChIKey | YVXDRCDGBCOJHX-UHFFFAOYSA-N |
| INCHI | 1S/C7H7N3/c1-6-2-4-7(5-3-6)9-10-8/h2-5H,1H3 |
| 이성체 SMILES | CC1=CC=C(C=C1)N=[N+]=[N-] |
| WGK 독일 | 3 |
| 분자량 | 133.15 |
| Reaxy-Rn | 1841411 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1841411&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 |
| 분류 | Benzene and substituted derivatives |
| Subclass | Phenylazides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylazides |
| Alternative Parents | Toluenes Azo imides Azo compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylazide - Toluene - Azo imide - Azo compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as phenylazides. These are compounds containing a phenylazide moiety, which consists of a linear azide substituent attached to a phenyl group. |
| External Descriptors | Not available |
| 발화점(°F) | -27.4 °F |
|---|---|
| 발화점(°C) | -33 °C |
| 분자량 | 133.150 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 133.064 Da |
| Monoisotopic Mass | 133.064 Da |
| Topological Polar Surface Area | 14.400 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 141.000 |
| 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 |
