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CAS No.: | 884494-44-4 |
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Name: | 2-CHLORO-4-IODOPYRIDINE-3-METHANOL |
Molecular Structure: | |
Formula: | C6H5ClINO |
Molecular Weight: | 269.469 |
Synonyms: | 2-Chloro-4-iodo-3-pyridinemethanol;2-CHLORO-3-(HYDROXYMETHYL)-4-IODOPYRIDINE; |
Density: | 2.064 g/cm3 |
Melting Point: | 87-92°C |
Boiling Point: | 358.7 °C at 760 mmHg |
Flash Point: | 170.7 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 33.12000 |
LogP: | 1.83190 |
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The 2-Chloro-4-iodo-3-pyridinemethanol, with CAS registry number 884494-44-4, has the systematic name of (2-chloro-4-iodo-3-pyridyl)methanol. Besides this, it is also called 2-Chloro-4-iodopyridine-3-methanol. And the chemical formula of this chemical is C6H5ClINO.
Physical properties of 2-Chloro-4-iodo-3-pyridinemethanol: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 0.79; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 33.12 Å2; (9)Index of Refraction: 1.667; (10)Molar Refractivity: 48.59 cm3; (11)Molar Volume: 130.4 cm3; (12)Polarizability: 19.26×10-24cm3; (13)Surface Tension: 62.1 dyne/cm; (14)Density: 2.064 g/cm3; (15)Flash Point: 170.7 °C; (16)Enthalpy of Vaporization: 63.75 kJ/mol; (17)Boiling Point: 358.7 °C at 760 mmHg; (18)Vapour Pressure: 9.05E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1c(I)ccnc1Cl
(2)InChI: InChI=1/C6H5ClINO/c7-6-4(3-10)5(8)1-2-9-6/h1-2,10H,3H2
(3)InChIKey: BZQRQPAKTCMYIA-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H5ClINO/c7-6-4(3-10)5(8)1-2-9-6/h1-2,10H,3H2
(5)Std. InChIKey: BZQRQPAKTCMYIA-UHFFFAOYSA-N