2 Citations
Determine the necessary mass, volume, or concentration for preparing a solution.
This is a demo store. No orders will be fulfilled.
Basic Description
| Synonyms | 2-hydroxyphenyl cyanide | Benzonitrile, o-hydroxy- | CAS-611-20-1 | AKOS000120269 | Hydroxy Benzonitrile | HY-W012869 | 2-Hydroxybenzonitrile | 2-Hydroxy-benzonitrile | 0R0 | NCGC00255417-01 | Tox21_302110 | Salicylonitrile | 2-Cyanophenol | A21190 | Z104 |
|---|---|
| Specifications & Purity | ≥95% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Nitriles Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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 |
|
|
|
Associated Targets(non-human)
L1210 (27553 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488181472 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181472 |
| IUPAC Name | 2-hydroxybenzonitrile |
| INCHI | InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H |
| InChIKey | CHZCERSEMVWNHL-UHFFFAOYSA-N |
| Smiles | C1=CC=C(C(=C1)C#N)O |
| Isomeric SMILES | C1=CC=C(C(=C1)C#N)O |
| WGK Germany | 3 |
| Molecular Weight | 119.12 |
| Beilstein | 1210029 |
| Reaxy-Rn | 1210029 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1210029&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2319553 |
Certificate of Analysis | Apr 09, 2025 | H103175 |
| G2319537 |
Certificate of Analysis | Apr 09, 2025 | H103175 |
| J2221431 |
Certificate of Analysis | Jul 15, 2024 | H103175 |
| J2221434 |
Certificate of Analysis | Jul 15, 2024 | H103175 |
| J2221486 |
Certificate of Analysis | Jul 15, 2024 | H103175 |
| J2221493 |
Certificate of Analysis | Jul 15, 2024 | H103175 |
| J2221435 |
Certificate of Analysis | Jul 15, 2024 | H103175 |
| G2405220 |
Certificate of Analysis | Mar 22, 2024 | H103175 |
| K2102112 |
Certificate of Analysis | Aug 21, 2023 | H103175 |
| K2102102 |
Certificate of Analysis | Aug 21, 2023 | H103175 |
| K2102127 |
Certificate of Analysis | Aug 21, 2023 | H103175 |
| K2102110 |
Certificate of Analysis | Aug 21, 2023 | H103175 |
| K2102111 |
Certificate of Analysis | Aug 21, 2023 | H103175 |
| C1912017 |
Certificate of Analysis | Oct 19, 2022 | H103175 |
| H2209471 |
Certificate of Analysis | Aug 11, 2022 | H103175 |
Show more⌵
Chemical and Physical Properties
| Solubility | Soluble in water. |
|---|---|
| Boil Point(°C) | 149 °C/14 mmHg |
| Melt Point(°C) | 92-95°C |
| Molecular Weight | 119.120 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 119.037 Da |
| Monoisotopic Mass | 119.037 Da |
| Topological Polar Surface Area | 44.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 135.000 |
| 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 |
Citations of This Product
| 1. Biao Yang, Xinbo Yang, Yuchuan Li, Siping Pang. (2023) The Design, Synthesis and Application of Nitrogen Heteropolycyclic Compounds with UV Resistance Properties. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 24 (9): (7882). |
| 2. Chenhuan Wang, Qianqian Wang, Kaiyuan Si. (2025) Construction of carboxyl-functionalized hyper-cross-linked porous polymers using waste polystyrene for effective adsorption of phenolic contaminants. JOURNAL OF CHROMATOGRAPHY A, 1750 (465925). |
Solution Calculators
Reviews
Customer Reviews
Remind me later