≥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 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
2-Aminobenzonitrile is used for induction of nitrilase activity in Arthrobacter and as a radioprotective agent.
| Pubchem Sid | 488184736 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184736 |
| Canonical Smiles | C1=CC=C(C(=C1)C#N)N |
| IUPAC Name | 2-aminobenzonitrile |
| InChIKey | HLCPWBZNUKCSBN-UHFFFAOYSA-N |
| INCHI | 1S/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2 |
| Isomeric SMILES | C1=CC=C(C(=C1)C#N)N |
| WGK Germany | 2 |
| RTECS | CB4575000 |
| Molecular Weight | 118.14 |
| Beilstein | 907187 |
| Reaxy-Rn | 907187 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=907187&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 |
|---|---|---|---|
 I2209124 | Certificate of Analysis | Jun 11, 2026 | A107481 |
| I2209125 | Certificate of Analysis | Jun 11, 2026 | A107481 |
| I2108053 | Certificate of Analysis | Jun 09, 2025 | A107481 |
| I2108054 | Certificate of Analysis | Jun 09, 2025 | A107481 |
| I2108055 | Certificate of Analysis | Jun 09, 2025 | A107481 |
| K2505152 | Certificate of Analysis | Jun 15, 2024 | A107481 |
| L1903184 | Certificate of Analysis | Sep 06, 2023 | A107481 |
| I2318166 | Certificate of Analysis | Jul 22, 2022 | A107481 |
| I2506036 | Certificate of Analysis | Jul 22, 2022 | A107481 |
| L2405104 | Certificate of Analysis | Jul 22, 2022 | A107481 |
| A2517144 | Certificate of Analysis | May 31, 2021 | A107481 |
| E2311123 | Certificate of Analysis | May 31, 2021 | A107481 |
| E2311132 | Certificate of Analysis | May 31, 2021 | A107481 |
| Solubility | Solubility in Methanol almost transparency |
|---|---|
| Flash Point(°F) | 293 °F |
| Flash Point(°C) | 145°C |
| Boil Point(°C) | 263°C |
| Melt Point(°C) | 48-52°C |
| Molecular Weight | 118.140 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 118.053 Da |
| Monoisotopic Mass | 118.053 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 133.000 |
| 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. Jilei Xu, Ping Chen, Shuaijiang Ma, Guohao Zhu. (2022) Synthesis, polymerization, and thermal properties of novel oxazine-functional bismaleimides and their conversion to high performance benzoxazole resins. JOURNAL OF APPLIED POLYMER SCIENCE, 140 (7): (e53497). [PMID:] [10.1002/app.53497] |
| 2. Tingting Chen, Yunfei Zhang, Yingjie Xu. (2022) Efficient Synthesis of Quinazoline-2,4(1H,3H)-dione via Simultaneous Activated CO2 and 2-Aminobenzonitrile by 1-Methylhydantoin Anion-Functionalized Ionic Liquid through the Multiple-Site Cooperative Interactions. ACS Sustainable Chemistry & Engineering, [PMID:] [10.1021/acssuschemeng.2c03249] |
| 3. Fusheng Liu, Ran Ping, Yongqiang Gu, Penghui Zhao, Bin Liu, Jun Gao, Mengshuai Liu. (2020) Efficient One Pot Capture and Conversion of CO2 into Quinazoline-2,4(1H,3H)-diones Using Triazolium-Based Ionic Liquids. ACS Sustainable Chemistry & Engineering, [PMID:] [10.1021/acssuschemeng.9b07242] |
| 4. Guo-Ying Zhao, Ling-Ling Mu, Latif Ullah, Meng Wang, Hong-Ping Li, Xin-Xin Guan. (2018) CO2 involved synthesis of quinazoline-2,4(1H,3H)-diones in water using melamine as a thermoregulated catalyst. Canadian Journal of Chemistry, 97 (3): [PMID:] [10.1139/cjc-2017-0705] |
| 5. Jingyang Su, Ping Geng, Xinyong Li, Qidong Zhao, Xie Quan, Guohua Chen. (2015) Novel phosphorus doped carbon nitride modified TiO2 nanotube arrays with improved photoelectrochemical performance. Nanoscale, 7 (39): (16282-16289). [PMID:26376767] [10.1039/C5NR04562B] |
| 6. Tingting Chen, Zhongyuan Sun, Yujun Guo, Yingjie Xu. (2024) Does the active hydrogen atom in the hydantoin anion affect the physical properties, CO2 capture and conversion of ionic liquids?. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 26 (17): (12957-12964). [PMID:38632968] [10.1039/D3CP05965K] |
| 7. Wenlin Zhang, Guopeng Li, Cheng Yi, Haihua Zhou, Bingxin Huang, Jiahua Meng, Yongjin Zou, Chuanguo Ma, Yuqi Liu. (2025) Developing biobased benzoxazine resins with excellent processability, thermal stability, flame retardancy and dielectric properties. EUROPEAN POLYMER JOURNAL, [PMID:] [10.1016/j.eurpolymj.2025.114436] |
