| Identification | More | [Name]
4-Hydroxyphthalonitrile | [CAS]
30757-50-7 | [Synonyms]
3,4-DICYANOPHENOL
4-HYDROXYBENZENE-1,2-DICARBONITRILE
4-HYDROXYPHTHALONITRILE
4-Hydroxyphehalonitrile
4-HYDROXYPHTHALONITRILE 97+% | [Molecular Formula]
C8H4N2O | [MDL Number]
MFCD00191653 | [Molecular Weight]
144.13 | [MOL File]
30757-50-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
~218 °C
| [Boiling point ]
394.6±37.0 °C(Predicted) | [density ]
1.34±0.1 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
6.45±0.18(Predicted) | [color ]
White to Gray to Brown | [BRN ]
2718847 | [InChIKey]
FTVOPKROFUTOKY-UHFFFAOYSA-N | [CAS DataBase Reference]
30757-50-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [HS Code ]
2926907090 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless transparent liquid | [Synthesis Reference(s)]
Synthetic Communications, 19, p. 3231, 1989 DOI: 10.1080/00397918908052723 | [Synthesis]
The general procedure for the synthesis of 3,4-dicyanophenol from 4-nitrophthalonitrile was as follows: 1) 103.9 g (600 mmol) of 4-nitrophthalonitrile and 800 mL of dimethyl sulfoxide (DMSO) were added to a three-necked flask equipped with a stirrer. After the solid was completely dissolved, 91.0 g (660 mmol) of potassium carbonate and 46.0 g (660 mmol) of sodium nitrite were added sequentially. The reaction mixture was heated to 160 °C and kept at reflux for 5 hours. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently poured into a large amount of water to precipitate the product. The yellow solid was collected by filtration and dried under vacuum at 110 °C to give 73.3 g of 4-hydroxyphthalonitrile in 85% yield. | [References]
[1] RSC Advances, 2015, vol. 5, # 96, p. 79207 - 79215
[2] Patent: CN104910113, 2017, B. Location in patent: Paragraph 0041-0042; 0045-0046
[3] Synthetic Communications, 1989, vol. 19, # 18, p. 3231 - 3240
[4] Russian Journal of General Chemistry, 2011, vol. 81, # 4, p. 768 - 772 |
|
|