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CAS No.: | 132865-44-2 |
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Name: | 3-CHLORO-5-FORMYL-2-METHOXYPYRIDINE |
Molecular Structure: | |
Formula: | C7H6ClNO2 |
Molecular Weight: | 171.583 |
Synonyms: | 5-Chloro-6-methoxynicotinaldehyde;3-Chloro-5-formyl-2-methoxypyridine; |
Density: | 1.317 g/cm3 |
Melting Point: | 152oC |
Boiling Point: | 260.324 °C at 760 mmHg |
Flash Point: | 111.24 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-43 |
Safety: | 36/37 |
PSA: | 39.19000 |
LogP: | 1.55610 |
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The 5-Chloro-6-methoxypyridine-3-carboxaldehyde, with the CAS registry number 132865-44-2, has the systematic name of 5-chloro-6-methoxy-pyridine-3-carbaldehyde. It belongs to the following product categories: Pyridine; Pyridines; Boronic Acid. And the molecular formula of the chemical is C7H6ClNO2.
The characteristics of 5-Chloro-6-methoxypyridine-3-carboxaldehyde are as followings: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 9.862; (6)ACD/BCF (pH 7.4): 9.862; (7)ACD/KOC (pH 5.5): 179.104; (8)ACD/KOC (pH 7.4): 179.104; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 42.671 cm3; (15)Molar Volume: 130.276 cm3; (16)Polarizability: 16.916×10-24cm3; (17)Surface Tension: 45.86 dyne/cm; (18)Density: 1.317 g/cm3; (19)Flash Point: 111.24 °C; (20)Enthalpy of Vaporization: 49.801 kJ/mol; (21)Boiling Point: 260.324 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1c(cc(cn1)C=O)Cl
(2)InChI: InChI=1/C7H6ClNO2/c1-11-7-6(8)2-5(4-10)3-9-7/h2-4H,1H3
(3)InChIKey: IZBHWLYKWKYMOY-UHFFFAOYAT