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| CAS No.: | 73018-09-4 |
|---|---|
| Name: | 5-CHLORO-2-HYDROXYPYRIDINE |
| Molecular Structure: | |
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| Formula: | C5H4ClNO |
| Molecular Weight: | 129.54 |
| Synonyms: | 6-chloropyridin-2(1H)-one;2(1H)-pyridinone, 6-chloro-;6-Chloro-2(1H)-pyridinone;6-Chloropyridin-2(1H)-one;6-Chloropyridin-2-ol;6-chloropyridone;cobalt phosphonate; |
| EINECS: | 224-146-1 |
| Density: | 1.35 g/cm3 |
| Melting Point: | 163-165oC(lit.) |
| Boiling Point: | 319.5 °C at 760 mmHg |
| Flash Point: | 147 °C |
| Appearance: | Light yellow Crystal |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 33.12000 |
| LogP: | 1.44060 |
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- Total:32 Page 1 of 1 1
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Specification
The 2-Pyridinol, 6-chloro-, with the CAS registry number 73018-09-4 and EINECS registry number 224-146-1, has the systematic name of 6-chloropyridin-2(1H)-one. It is a kind of light yellow crystal, and belongs to the product category of Pyridines. And the molecular formula of the chemical is C5H4ClNO.
The characteristics of 2-Pyridinol, 6-chloro- are as followings: (1)ACD/LogP: -0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.39; (4)ACD/LogD (pH 7.4): -0.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.49; (8)ACD/KOC (pH 7.4): 8.17; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 31.34 cm3; (15)Molar Volume: 95.5 cm3; (16)Polarizability: 12.42 ×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 147 °C; (20)Enthalpy of Vaporization: 56.1 kJ/mol; (21)Boiling Point: 319.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000338 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl\C1=C\C=C/C(=O)N1
(2)InChI: InChI=1/C5H4ClNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)
(3)InChIKey: CLNNBQDAAGDAHI-UHFFFAOYAM