≥98% 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
4-Aminophthalonitrile is a useful dye for biological research purposes.
| Pubchem Sid | 488186708 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186708 |
| Canonical Smiles | C1=CC(=C(C=C1N)C#N)C#N |
| IUPAC Name | 4-aminobenzene-1,2-dicarbonitrile |
| InChIKey | RRCAJFYQXKPXOJ-UHFFFAOYSA-N |
| INCHI | 1S/C8H5N3/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3H,11H2 |
| Isomeric SMILES | C1=CC(=C(C=C1N)C#N)C#N |
| Molecular Weight | 143.15 |
| Reaxy-Rn | 2937382 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2937382&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 | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Aniline and substituted anilines Nitriles Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aniline or substituted anilines - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| 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 |
|---|---|---|---|
 K2208047 | Certificate of Analysis | Aug 03, 2026 | A151597 |
| K2208048 | Certificate of Analysis | Aug 03, 2026 | A151597 |
| K2208232 | Certificate of Analysis | Aug 03, 2026 | A151597 |
| K2208233 | Certificate of Analysis | Aug 03, 2026 | A151597 |
| K2208234 | Certificate of Analysis | Aug 03, 2026 | A151597 |
| D1812138 | Certificate of Analysis | Nov 10, 2025 | A151597 |
| D1812139 | Certificate of Analysis | Nov 10, 2025 | A151597 |
| L2124051 | Certificate of Analysis | Oct 11, 2025 | A151597 |
| C2307545 | Certificate of Analysis | Mar 17, 2023 | A151597 |
| C2307544 | Certificate of Analysis | Mar 10, 2023 | A151597 |
| L2205675 | Certificate of Analysis | Dec 13, 2022 | A151597 |
| C2307602 | Certificate of Analysis | Oct 20, 2022 | A151597 |
| E2320295 | Certificate of Analysis | Feb 16, 2022 | A151597 |
| Solubility | Soluble in Methanol |
|---|---|
| Sensitivity | Air Sensitive |
| Melt Point(°C) | 181 °C |
| Molecular Weight | 143.150 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 143.048 Da |
| Monoisotopic Mass | 143.048 Da |
| Topological Polar Surface Area | 73.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 228.000 |
| 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 |
| 1. Kan Zhang, Xinye Yu, Yuting Wang, Yuqi Liu. (2019) Thermally Activated Structural Changes of a Norbornene–Benzoxazine–Phthalonitrile Thermosetting System: Simple Synthesis, Self-Catalyzed Polymerization, and Outstanding Flame Retardancy. ACS Applied Polymer Materials, [PMID:] [10.1021/acsapm.9b00668] |
| 2. Yao Li, He Wang, Chunyu Zhang, Yingchao Zhang, Zhanchen Cui, Donghang Yan, Zuosen Shi. (2015) Organic thin-film transistors with novel high-k polymers as dielectric layers. Polymer Chemistry, 6 (19): (3685-3693). [PMID:] [10.1039/C5PY00221D] |
| 3. Hao Zeng, Xiangbing Zou, Shuo Yang, Sizhe Tang, Shanshan Luo, Meiyue Cheng, Haiping Xu, Yujie Song, Ming Liu, Yang Liu, Ming Yang, Bing Li. (2026) Functional group engineering for boosting catalytic activity: high turnover frequency in electrocatalytic CO2 reduction and Zn-CO2 batteries. JOURNAL OF COLLOID AND INTERFACE SCIENCE, [PMID:41621356] [10.1016/j.jcis.2026.139983] |
