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CAS No.: | 558465-93-3 |
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Name: | 2,5-DICHLORO-3-HYDROXYMETHYLPYRIDINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H5Cl2NO |
Molecular Weight: | 178.02 |
Synonyms: | (2,5-Dichloropyridin-3-yl)methanol;3-pyridinemethanol, 2,5-dichloro-;2,5-Dichloro-3-hydroxymethylpyridine; |
EINECS: | 125-856-9 |
Density: | 1.478 g/cm3 |
Melting Point: | 64-66 °C |
Boiling Point: | 291.6 °C at 760 mmHg |
Flash Point: | 130.2 °C |
PSA: | 33.12000 |
LogP: | 1.88070 |
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The 2,5-Dichloro-3-(Hydroxymethyl)pyridine, with the CAS registry number 558465-93-3, has the systematic name of (2,5-dichloropyridin-3-yl)methanol. It belongs to the following product categories: Pyridine; Pyridines; Boronic Acid. And the molecular formula of the chemical is C6H5Cl2NO.
The characteristics of 2,5-Dichloro-3-(Hydroxymethyl)pyridine are as followings: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 3.3; (6)ACD/BCF (pH 7.4): 3.3; (7)ACD/KOC (pH 5.5): 81.76; (8)ACD/KOC (pH 7.4): 81.76; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 40.58 cm3; (15)Molar Volume: 120.3 cm3; (16)Polarizability: 16.08×10-24cm3; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.478 g/cm3; (19)Flash Point: 130.2 °C; (20)Enthalpy of Vaporization: 56.09 kJ/mol; (21)Boiling Point: 291.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000883 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCc1cc(Cl)cnc1Cl
(2)InChI: InChI=1/C6H5Cl2NO/c7-5-1-4(3-10)6(8)9-2-5/h1-2,10H,3H2
(3)InChIKey: OMVBAPGBNPDUNI-UHFFFAOYAF