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| CAS No.: | 626-03-9 |
|---|---|
| Name: | 2,4-Dihydroxypyridine |
| Article Data: | 10 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H5NO2 |
| Molecular Weight: | 111.1 |
| Synonyms: | 2(1H)-Pyridone, 4-hydroxy-;2(1H)-Pyridinone, 4-hydroxy-;2-hydroxy-1H-pyridin-4-one;2(1H)-Pyridinone, 4-hydroxy- (9CI);4-Hydroxy-2(1H)-pyridinone;4-Hydroxy-2-pyridone;3-Deazauracil;Pyridine-2,4-diol; |
| EINECS: | 210-924-8 |
| Density: | 1.379 g/cm3 |
| Melting Point: | 272-276 °C(lit.) |
| Boiling Point: | 270.9 °C at 760 mmHg |
| Flash Point: | 117.6 °C |
| Solubility: | 6.211g/L(20 oC) |
| Appearance: | white to yellow-beige crystals or cryst. powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 53.35000 |
| LogP: | 0.49280 |
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 18677-43-5
2,4-dimethoxypyridine
- 626-03-9
3-deazauracil
| Conditions | Yield |
|---|---|
| With hexamethyldisilathiane; sodium methylate In various solvent(s) at 180℃; for 24h; | 75% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 290 - 310℃; |
- 626-03-9
3-deazauracil
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 626-03-9
3-deazauracil
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 190 - 200℃; |
- 626-03-9
3-deazauracil
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 190 - 200℃; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: H2SO4 / Behandeln des Reaktionsgemisches mit wss. NaNO2 2: concentrated aqueous hydrochloric acid View Scheme |
- 19867-18-6
6-chloro-2,4-dihydroxy-nicotinonitrile
- 626-03-9
3-deazauracil
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: zinc-powder; aqueous H2SO4 2: H2SO4 / Behandeln des Reaktionsgemisches mit wss. NaNO2 3: concentrated aqueous hydrochloric acid View Scheme |
- 626-03-9
3-deazauracil
- 89282-12-2
2,4-dihydroxy-3-nitropyridine
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid at 0℃; Industrial scale; | 98% |
| With sulfuric acid; nitric acid at 0℃; for 0.75h; | 96% |
| With nitric acid at 90℃; for 3h; | 92% |
- 626-03-9
3-deazauracil
- 96245-97-5
3-bromo-2,4-dihydroxypyridine
| Conditions | Yield |
|---|---|
| With hydrogen bromide; bromine; acetic acid In water at 0℃; for 0.5h; | 96% |
| With hydrogen bromide; bromine In acetic acid | 95% |
| With hydrogen bromide; bromine; acetic acid |
| Conditions | Yield |
|---|---|
| With phosphorus(V) oxybromide at 125℃; for 4.5h; | A 90% B 9% |
| With phosphorus(V) oxybromide at 125℃; for 4.5h; | A 85% B 12% |
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Chemistry
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IUPAC Name: 2-Hydroxy-1H-pyridin-4-one
Molecular Formula: C5H5NO2
Molecular Weight: 111.10 g/mol
Canonical SMILES: c1c(ccnc1O)O
InChI: InChI=1/C5H5NO2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)
EINECS: 210-924-8
Product Categories: Pyridines; Pyridine; Pyridines derivates; Aromatics Compounds; Aromatics;Bases & Related Reagents; Nucleotides
H-Bond Donor: 2
H-Bond Acceptor: 3
Tautomer Count: 9
Exact Mass: 111.032028
MonoIsotopic Mass: 111.032028
Topological Polar Surface Area: 49.3
Heavy Atom Count: 8
Complexity: 169
Index of Refraction: 1.593
Molar Refractivity: 27.33 cm3
Molar Volume: 80.5 cm3
Polarizability: 10.83×10-24 cm3
Surface Tension: 58.2 dyne/cm
Density: 1.379 g/cm3
Flash Point: 117.6 °C
Enthalpy of Vaporization: 59.11 kJ/mol
Boiling Point: 270.9 °C at 760 mmHg
Melting Point: 272-276 °C(lit.)
Water Solubility: 6250 mg/L at 20 °C
Atmospheric OH Rate Constant: 1.08E-10 cm3/molecule-sec at 25 °C
Vapour Pressure of 2,4-Dihydroxypyridine (CAS NO.626-03-9): 0.000873 mmHg at 25 °C
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 4895mg/kg (4895mg/kg) | Toxicon. Vol. 23, Pg. 815, 1985. |
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
S37/39: Wear suitable gloves and eye/face protection.
WGK Germany: 3
RTECS: UV1146800
Hazard Note: Irritant
HazardClass of 2,4-Dihydroxypyridine (CAS NO.626-03-9): Irritant
Specification
2,4-Dihydroxypyridine (CAS NO.626-03-9), its Synonyms are 2(1H)-Pyridinone, 4-hydroxy- (9CI) ; 2(1H)-Pyridone, 4-hydroxy- ; 4-Hydroxy-2-pyridone ; 2,4-Pyridinediol ; 3-Deazauracil ; 4-Hydroxy-2(1H)-pyridinone . It is white to yellow-beige crystals or cryst. powder.