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CAS No.: | 17368-12-6 |
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Name: | 2-Chloro-4-hydroxypyridine |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C5H4ClNO |
Molecular Weight: | 129.546 |
Synonyms: | 4-Pyridinol, 2-chloro-;2-Chloropyridin-4-ol; |
EINECS: | 241-399-3 |
Density: | 1.35 g/cm3 |
Melting Point: | 169-172 °C |
Boiling Point: | 225.1 °C at 760 mmHg |
Flash Point: | 89.9 °C |
Appearance: | White crystal |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 33.12000 |
LogP: | 1.44060 |
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The 2-Chloro-4-hydroxypyridine with cas registry number of 17368-12-6 is also known as 2-Chloropyridin-4-ol; 4-Pyridinol, 2-chloro-. Its IUPAC name is called 2-chloro-1H-pyridin-4-one. This chemical belongs to the categories in pyridine; blocks; pyridines; chiral chemicals. Its EINECS registry number is 241-399-3 with appearance of white crystal.
Physical properties about this chemical are: (1)ACD/LogP: -0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.8; (4)ACD/LogD (pH 7.4): -0.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.71; (8)ACD/KOC (pH 7.4): 8.33; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.569; (13)Molar Refractivity: 31.34 cm3; (14)Molar Volume: 95.5 cm3; (15)Surface Tension: 42.7 dyne/cm; (16)Density: 1.35 g/cm3; (17)Flash Point: 89.9 °C; (18)Enthalpy of Vaporization: 46.16 kJ/mol; (19)Boiling Point: 225.1 °C at 760 mmHg; (20)Vapour Pressure: 0.0879 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CNC(=CC1=O)Cl;
(2)InChI: InChI=1S/C5H4ClNO/c6-5-3-4(8)1-2-7-5/h1-3H,(H,7,8);
(3)InChIKey: VBEHFOMFHUQAOW-UHFFFAOYSA-N