Methyl 4-pyridinylacetate supplier

Name
METHYL ISONICOTINATE
EINECS 249-856-9
CAS No. 29800-89-3
Article Data13
CAS DataBase
Density 1.115 g/cm³
Solubility
Melting Point 8-8.5 °C(lit.)
Formula C₈H₉NO₂
Boiling Point 235.3 °C at 760 mmHg
Molecular Weight 151.165
Flash Point 96.1 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Methyl4-pyridineacetate;Methyl 4-pyridylacetate;
PSA 39.19000
LogP 0.79710

Methyl 4-pyridinylacetate Specification

The cas register number of Methyl 4-pyridinylacetate is 29800-89-3. It also can be called as 4-Pyridineacetic acid, methyl ester and the Systematic name about this chemical is methyl 2-pyridin-4-ylacetate.

Physical properties about Methyl 4-pyridinylacetate are: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.34; (7)ACD/KOC (pH 5.5): 27.11; (8)ACD/KOC (pH 7.4): 42.81; (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)Surface Tension: 40.8 dyne/cm; (17)Density: 1.115 g/cm³; (18)Flash Point: 96.1 °C; (19)Enthalpy of Vaporization: 47.2 kJ/mol; (20)Boiling Point: 235.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0505 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must Wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(OC)Cc1ccncc1
2.InChI: InChI=1/C8H9NO2/c1-11-8(10)6-7-2-4-9-5-3-7/h2-5H,6H2,1H3
3.InChIKey: ZOKQLMMQYVXILS-UHFFFAOYAS
4.Std. InChI: InChI=1S/C8H9NO2/c1-11-8(10)6-7-2-4-9-5-3-7/h2-5H,6H2,1H3

Product Name

METHYL ISONICOTINATE

Methyl 4-pyridinylacetate Specification

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