3-Methyl-1H-pyrrole-2-carboxylic acid ethyl ester supplier

Name
OTAVA-BB BB7118560909
EINECS
CAS No. 3284-47-7
Article Data17
CAS DataBase
Density 1.106g/cm³
Solubility
Melting Point 1.106 g/cm³
Formula C₈H₁₁NO₂
Boiling Point 248.5 °C at 760 mmHg
Molecular Weight 153.181
Flash Point 104.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrrole-2-carboxylicacid, 3-methyl-, ethyl ester (6CI,7CI,8CI);3-Methyl-1H-pyrrole-2-carboxylicacid ethyl ester;Ethyl 3-methylpyrrole-2-carboxylate;
PSA 42.09000
LogP 1.49980

3-Methyl-1H-pyrrole-2-carboxylic acid ethyl ester Specification

The cas register number of 3-Methyl-1H-pyrrole-2-carboxylic acid ethyl ester is 3284-47-7. It also can be called as 1H-Pyrrole-2-carboxylic acid, 3-methyl-, ethyl ester and the Systematic name about this chemical is Ethyl 3-methyl-1H-pyrrole-2-carboxylate.

Physical properties about 3-Methyl-1H-pyrrole-2-carboxylic acid ethyl ester are: (1)ACD/LogP: 2.19 ; (2)ACD/LogD (pH 5.5): 2.19 ; (3)ACD/LogD (pH 7.4): 2.19 ; (4)ACD/BCF (pH 5.5): 27.14; (5)ACD/BCF (pH 7.4): 27.15; (6)ACD/KOC (pH 5.5): 369.68; (7)ACD/KOC (pH 7.4): 369.71; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 31.23Å²; (12)Index of Refraction: 1.517; (13)Molar Refractivity: 41.91 cm³; (14)Molar Volume: 138.4 cm³; (15)Surface Tension: 40.4 dyne/cm; (16)Density: 1.106 g/cm³; (17)Flash Point: 104.1 °C; (18)Enthalpy of Vaporization: 48.57 kJ/mol; (19)Boiling Point: 248.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0242 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(OCC)c1c(ccn1)C
2.InChI: InChI=1/C8H11NO2/c1-3-11-8(10)7-6(2)4-5-9-7/h4-5,9H,3H2,1-2H3
3.InChIKey: FGILMAYWLMWCQA-UHFFFAOYAC
4.Std. InChI: InChI=1S/C8H11NO2/c1-3-11-8(10)7-6(2)4-5-9-7/h4-5,9H,3H2,1-2H3 .

Product Name

OTAVA-BB BB7118560909

3-Methyl-1H-pyrrole-2-carboxylic acid ethyl ester Specification

Related Products

Hot Products