3-Hydroxybenzoic acid nitrile
3-Cyanophenol
CAS: 873-62-1
Molecular Formula: C7H5NO
3-Hydroxybenzoic acid nitrile - Names and Identifiers
| Name | 3-Cyanophenol |
| Synonyms | AKOS B004111 M-CYANOPHENOL 3-CYANOPHENOL 3-Cyanophenol M-HYDROXYBENZONITRILE m-hydroxybenzonitrile 3-Hydroxybenzonitrile 3-HYDROXYBENZONITRILE Benzonitrile, m-hydroxy- Benzonitrile, 3-hydroxy- 3-Hydroxybenzoic acid nitrile |
| CAS | 873-62-1 |
| EINECS | 212-845-4 |
| InChI | InChI=1/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H |
3-Hydroxybenzoic acid nitrile - Physico-chemical Properties
| Molecular Formula | C7H5NO |
| Molar Mass | 119.12 |
| Density | 1.1871 (rough estimate) |
| Melting Point | 78-81°C(lit.) |
| Boling Point | 222.38°C (rough estimate) |
| Flash Point | 107.6°C |
| Water Solubility | Slightly soluble in water. |
| Vapor Presure | 0.0108mmHg at 25°C |
| Appearance | Yellow-like crystals |
| Color | Almost white to light brown |
| BRN | 2041515 |
| pKa | 8.61(at 25℃) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.5800 (estimate) |
| MDL | MFCD00002252 |
3-Hydroxybenzoic acid nitrile - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | 3276 |
| WGK Germany | 2 |
| HS Code | 29089990 |
| Hazard Note | Harmful |
| Hazard Class | 6.1 |
| Packing Group | III |
3-Hydroxybenzoic acid nitrile - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Application | 3-hydroxybenzonitrile is an organic intermediate, it can be prepared from 3-cyanophenylboronic acid or 3-hydroxybenzoic acid. |
| preparation | aryl boronic acid (5.0mmol,1.0eq.) povidone-iodine (0.15mmol,0.03eq. Available iodine) and hydrogen peroxide (1.0mL) were added to a 50mL round bottom flask using H2O(2.0mL) as solvent. The reaction mixture was stirred at 25°C under ambient atmosphere. The reaction was monitored by TLC or GC-MS analysis. Once the starting material was consumed completely, the reaction solution was extracted with ethyl acetate (3x 20ml). The mixture was concentrated under reduced pressure. The residue was purified by column chromatography using n-hexane/ethyl acetate gradient elution and concentrated in vacuo to give 3-hydroxybenzonitrile. |
Last Update：2024-04-09 21:00:56
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