CAS No.17228-67-0,2-Chloro-4-pyridone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17228-67-0
Name:	2-Chloro-4-pyridone
Article Data:	2

Formula:	C₅H₄ClNO
Molecular Weight:	129.546
Synonyms:	2-Chloro-4-hydroxypyridine;
EINECS:	241-265-4
Density:	1.35 g/cm³
Boiling Point:	225.1 °C at 760 mmHg
Flash Point:	89.9 °C
PSA:	32.86000
LogP:	1.02830

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Specification

The IUPAC name of 2-Chloro-4-pyridone is 2-chloro-1H-pyridin-4-one. With the CAS registry number 17228-67-0, it is also named as 2-Chloro-4-hydroxypyridine. The product's category is pyridine, its molecular formula is C₅H₄ClNO and its molecular weight is 129.54.

The other characteristics of 2-Chloro-4-pyridone can be summarized as: (1)EINECS: 241-265-4; (2)ACD/LogP: -0.80; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.8; (5)ACD/LogD (pH 7.4): -0.82; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 8.71; (9)ACD/KOC (pH 7.4): 8.33; (10)H bond acceptors: 2; (11)H bond donors: 1; (12)Freely Rotating Bonds: 0; (13)Polar Surface Area: 20.31 Å²; (14)Index of Refraction: 1.569; (15)Molar Refractivity: 31.34 cm³; (16)Molar Volume: 95.5 cm³; (17)Polarizability: 12.42×10^-24cm³; (18)Surface Tension: 42.7 dyne/cm; (19)Density: 1.35 g/cm³; (20)Flash Point: 89.9 °C; (21)Enthalpy of Vaporization: 46.16 kJ/mol; (22)Boiling Point: 225.1 °C at 760 mmHg; (23)Vapour Pressure: 0.0879 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C\1\C=C/NC(/Cl)=C/1
(2)InChI:InChI=1/C5H4ClNO/c6-5-3-4(8)1-2-7-5/h1-3H,(H,7,8)
(3)InChIKey:VBEHFOMFHUQAOW-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C5H4ClNO/c6-5-3-4(8)1-2-7-5/h1-3H,(H,7,8)
(5)Std. InChIKey:VBEHFOMFHUQAOW-UHFFFAOYSA-N