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| CAS No.: | 16867-04-2 |
|---|---|
| Name: | 2,3-Dihydroxypyridine |
| Molecular Structure: | |
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| Formula: | C5H5NO2 |
| Molecular Weight: | 111.1 |
| Synonyms: | 2(1H)-Pyridone,3-hydroxy- (7CI,8CI);3-Hydroxy-1H-pyridin-2-one;3-Hydroxy-2(1H)-pyridinone;3-Hydroxy-2-pyridone;2(1H)-pyridinone, 3-hydroxy-;2,3-Pyridinediol;3-Hydroxy-2(1H)-pyridinon;3-Hydroxypyridin-2(1H)-one; |
| EINECS: | 240-887-3 |
| Density: | 1.379 g/cm3 |
| Melting Point: | 245 °C (dec.)(lit.) |
| Boiling Point: | 387.2 °C at 760 mmHg |
| Flash Point: | 188 °C |
| Solubility: | Soluble in water. |
| Appearance: | khaki to grey or brown crystalline powder |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-40 |
| Safety: | 26-36-37/39-22 |
| PSA: | 53.35000 |
| LogP: | 0.49280 |
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Specification
The 2,3-Dihydroxypyridine, with the CAS registry number 16867-04-2 and EINECS registry number 240-887-3, has the systematic name of 3-hydroxypyridin-2(1H)-one. It is a kind of khaki to grey or brown crystalline powder, and belongs to the following product categories: Pyridines, Pyrimidines, Purines and Pteredines; Pyridines derivates; Heterocyclic Compounds. And the molecular formula of this chemical is C5H5NO2. What's more, it is usually used as medicine intermediate.
The physical properties of 2,3-Dihydroxypyridine are as followings: (1)ACD/LogP: -0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.82; (4)ACD/LogD (pH 7.4): -0.84; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.57; (8)ACD/KOC (pH 7.4): 8.18; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 27.33 cm3; (15)Molar Volume: 80.5 cm3; (16)Polarizability: 10.83×10-24cm3; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.379 g/cm3; (19)Flash Point: 188 °C; (20)Enthalpy of Vaporization: 73.58 kJ/mol; (21)Boiling Point: 387.2 °C at 760 mmHg; (22)Vapour Pressure: 1.35E-07 mmHg at 25°C.
Uses of 2,3-Dihydroxypyridine: It can react with piperidine and formaldehyde to produce 3-hydroxy-4-piperidin-1-ylmethyl-1H-pyridin-2-one. This reaction will need solvent methanol. The reaction time is 2 hours with heating, and the yield is about 62%.
You should be cautious while dealing with this chemical. There's limited evidence of a carcinogenic effect of this chemical. And it also irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(=O)[nH]c1)O
(2)InChI: InChI=1/C5H5NO2/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)
(3)InChIKey: GGOZGYRTNQBSSA-UHFFFAOYAS
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 879mg/kg (879mg/kg) | Toxicon. Vol. 23, Pg. 815, 1985. |