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CAS No.: | 139585-48-1 |
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Name: | 2-CHLORO-5-METHOXYPYRIDINE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C6H6ClNO |
Molecular Weight: | 143.573 |
Synonyms: | 2-Chlor-5-methoxypyridin;Pyridine,2-chloro-5-methoxy; |
EINECS: | -0 |
Density: | 1.21 g/cm3 |
Boiling Point: | 213.728 °C at 760 mmHg |
Flash Point: | 83.06 °C |
Appearance: | Colorless to light yellow liquid |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 22.12000 |
LogP: | 1.74360 |
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This chemical is called Pyridine, 2-chloro-5-methoxy-, and its systematic name is 2-chloro-5-methoxypyridine. With the molecular formula of C6H6ClNO, its CAS registry number is 139585-48-1. Additionally, its product categories are Blocks; Pyridines; Boronic Acid.
Other characteristics of the Pyridine, 2-chloro-5-methoxy- can be summarised as followings: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.68; (6)ACD/BCF (pH 7.4): 14.68; (7)ACD/KOC (pH 5.5): 238.08; (8)ACD/KOC (pH 7.4): 238.08; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 35.91 cm3; (15)Molar Volume: 118.6 cm3; (16)Polarizability: 14.23×10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 83.1 °C; (20)Enthalpy of Vaporization: 43.17 kJ/mol; (21)Boiling Point: 213.7 °C at 760 mmHg; (22)Vapour Pressure: 0.236 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: COc1cnc(Cl)cc1
2.InChI: InChI=1/C6H6ClNO/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3
3.InChIKey: ZXGHKJHRHVDMSW-UHFFFAOYAE