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6-Methoxy-3-picoline

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Name

6-Methoxy-3-picoline

EINECS N/A
CAS No. 13472-56-5 Density 1.002 g/cm3
PSA 22.12000 LogP 2.61520
Solubility N/A Melting Point N/A
Formula C7H9NO Boiling Point 173.704 °C at 760 mmHg
Molecular Weight 123.07 Flash Point 61.145 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 13472-56-5 (2-METHOXY-5-PICOLINE) Hazard Symbols Xn
Synonyms

3-Picoline,6-methoxy- (7CI,8CI);2-Methoxy-5-methylpyridine;

Article Data 10

6-Methoxy-3-picoline Specification

The Pyridine,2-methoxy-5-methyl-, with its CAS registry number 13472-56-5, has the IUPAC name of 2-methoxy-5-methylpyridine. This is a kind of colorless liquid, and its product categories are including Pyridine.

The characteristics of Pyridine,2-methoxy-5-methyl- are as follows: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.15; (6)ACD/BCF (pH 7.4): 13.35; (7)ACD/KOC (pH 5.5): 219.11; (8)ACD/KOC (pH 7.4): 222.45; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 35.84 cm3; (15)Molar Volume: 122.9 cm3; (16)Polarizability: 14.21×10-24 cm3; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 1.001 g/cm3; (19)Flash Point: 61.1 °C; (20)Enthalpy of Vaporization: 39.32 kJ/mol; (21)Boiling Point: 173.7 °C at 760 mmHg; (22)Vapour Pressure: 1.67 mmHg at 25°C; (23)Exact Mass: 123.068414; (24)MonoIsotopic Mass: 123.068414; (25)Topological Polar Surface Area: 22.1; (26)Heavy Atom Count: 9; (27)Complexity: 85.

When you are dealing with this chemical, you should be more careful. This is irritating to eyes, respiratory system and skin and may then cause damage to health. And this is dangerous if by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=CN=C(C=C1)OC
(2)InChI: InChI=1S/C7H9NO/c1-6-3-4-7(9-2)8-5-6/h3-5H,1-2H3
(3)InChIKey: NFQGQMBFMIIIOR-UHFFFAOYSA-N

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