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CAS No.: | 1658-42-0 |
---|---|
Name: | METHYL 2-PYRIDYLACETATE |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C8H9NO2 |
Molecular Weight: | 151.165 |
Synonyms: | 2-Pyridylaceticacid methyl ester;2-[(Methoxycarbonyl)methyl]pyridine;Methyl2-(2-pyridyl)acetate;Methyl 2-pyridineacetate;Methyl 2-pyridinylacetate;Methyl 2-pyridylacetate;NSC 72093;Pyridin-2-ylacetic acid methyl ester;methyl 2-pyridyl acetate; |
EINECS: | 216-759-8 |
Density: | 1.116 g/cm3 |
Boiling Point: | 302.352 °C at 760 mmHg |
Flash Point: | 83.655 °C |
Appearance: | Clear yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 39.19000 |
LogP: | 0.79710 |
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This chemical is called Methyl 2-pyridylacetate, and its CAS registry number is 1658-42-0. With the molecular formula of C8H9NO2, its molecular weight is 151.16. Additionally, its product categories are Heterocyclic Compounds; Pyridine; C7 and C8; Heterocyclic Building Blocks.
Other characteristics of the Methyl 2-pyridylacetate can be summarised as followings: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 1.26; (6)ACD/BCF (pH 7.4): 1.35; (7)ACD/KOC (pH 5.5): 40.26; (8)ACD/KOC (pH 7.4): 43.09; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 40.3 cm3; (15)Molar Volume: 135.4 cm3; (16)Polarizability: 15.97×10-24cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.115 g/cm3; (19)Flash Point: 83.7 °C; (20)Enthalpy of Vaporization: 54.26 kJ/mol; (21)Boiling Point: 302.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000996 mmHg at 25°C.
Uses of this chemical: The hydroxyimino-[2]pyridyl-acetic acid methyl ester could be obtained by the reactant of Methyl 2-pyridylacetate. This reaction needs the reagents of NaNO2, aqueous H2SO4.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)Cc1ncccc1
2.InChI: InChI=1/C8H9NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h2-5H,6H2,1H3
3.InChIKey: ORAKNQSHWMHCEY-UHFFFAOYAV