3,4-Dihydroxybenzonitrile CAS 17345-61-8
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CAS number ： 17345-61-8
molecular formula : C7H5NO2
EINECS ： 241-367-9
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Email ： info@deshangchem.com
Mobile : +86-13153039501
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CAS number：17345-61-8
molecular formula：C7H5NO2
molecular weight：135.12
EINECS number：241-367-9
English synonyms
4-CYANO-1,2-DIHYDROXYBENZENE;3,4-DIHYDROXYBENZONITRILE;AKOS B004053;BENZONITRILE, 3,4-DIHYDROXY-;PROTOCATECHUONITRILE;TIMTEC-BB SBB008582;3,4-Dihydroxybenzonitrile, 98+%;Protocatachuonitrile
Related categories
Organic raw materials;Nitrile;Cyanide;Chemical intermediates;Thiophenes ,Thiazolines/Thiazolidines;Aromatic Nitriles;Nitrile;Nitriles;API intermediates
Chemical properties
| 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 conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | soluble in Methanol |
| Shape | powder to crystal |
| Acidity coefficient(pKa) | 7.67±0.18(Predicted) |
| Color | White to Almost white |
| Water solubility | insoluble |
BRN | 2082204 |
InChIKey | NUWHYWYSMAPBHK-UHFFFAOYSA-N |
LogP | 1.3 at 20℃ |
| CAS database | 17345-61-8(CAS DataBase Reference) |
Use
● Used as pharmaceutical intermediate
API Active Pharmaceutical Ingredients
Obtained from natural medicine. Natural medicine is an important part of medicine. For example, artemisinin, an effective antimalarial ingredient isolated from the traditional Chinese medicine Artemisia annua.
Take existing drugs as first-comers.
1) Discover the active ingredients of the drug from the side effects of the drug. For example, the phenothiazine antipsychotic chlorpromazine and its analogs are developed from the sedative side effects of the similarly structured antihistamine promethazine.
2) Obtained through drug metabolism research. For example, the metabolites of antidepressants imipramine and amitriptyline, norimipramine and noramitriptyline, have stronger antidepressant effects than the original drug; oxazepam is the active metabolite of diazepam.
3) Leading with existing breakthrough drugs. For example, the research on lansoprazole and other prazols is based on omeprazole, which is more active than omeprazole.
Obtained by screening with pharmacological model. Through combinatorial chemistry, a large number of chemical libraries with different structures are constructed without separation of mixtures. Through high-throughput screening, the components are found to have pharmaceutical activity and then separated, and the structure of the active compound is determined.
Designed according to physiological and pathological mechanisms. For example: the study of fluorouracil takes the nucleotide uracil synthesized from DNA or RNA as the lead compound, and replaces the hydrogen at position 5 with fluorine, making it a metabolic antagonist of the normal metabolites of the organism, and is used as an antitumor drug
3,4-Dihydroxybenzonitrile CAS 17345-61-8
CAS number：17345-61-8
molecular formula：C7H5NO2
molecular weight：135.12
EINECS number：241-367-9
English synonyms
4-CYANO-1,2-DIHYDROXYBENZENE;3,4-DIHYDROXYBENZONITRILE;AKOS B004053;BENZONITRILE, 3,4-DIHYDROXY-;PROTOCATECHUONITRILE;TIMTEC-BB SBB008582;3,4-Dihydroxybenzonitrile, 98+%;Protocatachuonitrile
Related categories
Organic raw materials;Nitrile;Cyanide;Chemical intermediates;Thiophenes ,Thiazolines/Thiazolidines;Aromatic Nitriles;Nitrile;Nitriles;API intermediates
Chemical properties
| 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 conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | soluble in Methanol |
| Shape | powder to crystal |
| Acidity coefficient(pKa) | 7.67±0.18(Predicted) |
| Color | White to Almost white |
| Water solubility | insoluble |
BRN | 2082204 |
InChIKey | NUWHYWYSMAPBHK-UHFFFAOYSA-N |
LogP | 1.3 at 20℃ |
| CAS database | 17345-61-8(CAS DataBase Reference) |
Use
● Used as pharmaceutical intermediate
API Active Pharmaceutical Ingredients
Obtained from natural medicine. Natural medicine is an important part of medicine. For example, artemisinin, an effective antimalarial ingredient isolated from the traditional Chinese medicine Artemisia annua.
Take existing drugs as first-comers.
1) Discover the active ingredients of the drug from the side effects of the drug. For example, the phenothiazine antipsychotic chlorpromazine and its analogs are developed from the sedative side effects of the similarly structured antihistamine promethazine.
2) Obtained through drug metabolism research. For example, the metabolites of antidepressants imipramine and amitriptyline, norimipramine and noramitriptyline, have stronger antidepressant effects than the original drug; oxazepam is the active metabolite of diazepam.
3) Leading with existing breakthrough drugs. For example, the research on lansoprazole and other prazols is based on omeprazole, which is more active than omeprazole.
Obtained by screening with pharmacological model. Through combinatorial chemistry, a large number of chemical libraries with different structures are constructed without separation of mixtures. Through high-throughput screening, the components are found to have pharmaceutical activity and then separated, and the structure of the active compound is determined.
Designed according to physiological and pathological mechanisms. For example: the study of fluorouracil takes the nucleotide uracil synthesized from DNA or RNA as the lead compound, and replaces the hydrogen at position 5 with fluorine, making it a metabolic antagonist of the normal metabolites of the organism, and is used as an antitumor drug
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