| Identification | More | [Name]
3,4-Dihydroxybenzonitrile | [CAS]
17345-61-8 | [Synonyms]
3,4-DIHYDROXYBENZONITRILE
4-CYANO-1,2-DIHYDROXYBENZENE
4-CYANOCATECHOL
4-CYANOPYROCATECHOL
AKOS B004053
BENZONITRILE, 3,4-DIHYDROXY-
PROTOCATECHUONITRILE
TIMTEC-BB SBB008582
Protocatachuonitrile
3,4-DIHYDROXYBENZONITRILE/PROTOCATECHUONITRILE
3,4-Dihydroxybenzonitrile, 98+% | [EINECS(EC#)]
241-367-9 | [Molecular Formula]
C7H5NO2 | [MDL Number]
MFCD00016436 | [Molecular Weight]
135.12 | [MOL File]
17345-61-8.mol |
| Chemical Properties | Back Directory | [Appearance]
Off-white powder | [Melting point ]
155-159 °C (lit.) | [Boiling point ]
334.8±32.0 °C(Predicted) | [density ]
1.42±0.1 g/cm3(Predicted) | [vapor pressure ]
0Pa at 20℃ | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
7.67±0.18(Predicted) | [color ]
White to Almost white | [Water Solubility ]
insoluble | [BRN ]
2082204 | [InChI]
InChI=1S/C7H5NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H | [InChIKey]
NUWHYWYSMAPBHK-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC=C(O)C(O)=C1 | [LogP]
1.3 at 20℃ | [CAS DataBase Reference]
17345-61-8(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
Off-white powder | [Uses]
3,4-Dihydroxybenzonitrile is mainly used to synthesize drugs containing thiazole, 2-oxazoline, imidazole, triazole and benzopyrimidine structures, such as quinazoline drugs for anticancer. In recent years, in the field of new materials, 3,4-dihydroxybenzonitrile has also been used in the synthesis of photosensitive materials. | [General Description]
3,4-Dihydroxybenzonitrile can be prepared from 4-hydroxy-3-methoxybenzonitrile. It can also be synthesized by reacting 3,4-dimethoxybenzonitrile, lithium diisopropylamide (LDA) and 1,3-dimethyl-2-imidazolidinone (DMEU). | [Synthesis]
3-Methoxy-4-hydroxybenzaldehyde (vanillin) was used as the raw material, and 3-methoxy-4-hydroxybenzonitrile was obtained by reaction with hydroxylamine hydrochloride, and then 3,4-Dihydroxybenzonitrile was synthesized by demethylation reaction with alkali metal halide. The product content was 99.8%, and the total yield based on vanillin was 75.2%. |
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| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
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| Telephone: |
0573-85285100 18627885956 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
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