Benzoic acid,2-chloro-4-methyl-6-(1-pyrrolidinyl)-, ethyl ester supplier

Name
ETHYL 2-CHLORO-4-METHYL-6-TETRAHYDRO-1H-PYRROL-1-YLBENZOATE
EINECS
CAS No. 59686-39-4
Density 1.181 g/cm³
Solubility
Melting Point 78 °C
Formula C₁₄H₁₈ClNO₂
Boiling Point 400.1 °C at 760 mmHg
Molecular Weight 267.755
Flash Point 195.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 2-chloro-4-methyl-6-tetrahydro-1H-pyrrol-1-ylbenzoate;Ethyl 2-chloro-4-methyl-6-(1-pyrrolidinyl)benzoate;
PSA 29.54000
LogP 3.49030

Benzoic acid,2-chloro-4-methyl-6-(1-pyrrolidinyl)-, ethyl ester Specification

The Benzoic acid,2-chloro-4-methyl-6-(1-pyrrolidinyl)-, ethyl ester, with the CAS registry number 59686-39-4, is also known as Ethyl 2-chloro-4-methyl-6-tetrahydro-1H-pyrrol-1-ylbenzoate. This chemical's molecular formula is C₁₄H₁₈ClNO₂ and molecular weight is 267.75. What's more, its IUPAC name is Ethyl 2-chloro-4-methyl-6-pyrrolidin-1-ylbenzoate.

Physical properties of Benzoic acid,2-chloro-4-methyl-6-(1-pyrrolidinyl)-, ethyl ester are: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.03; (4)ACD/LogD (pH 7.4): 4.03; (5)ACD/BCF (pH 5.5): 674.99; (6)ACD/BCF (pH 7.4): 680.24; (7)ACD/KOC (pH 7.4): 3708.6; (8)#H bond acceptors: 3; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 72.58 cm³; (14)Molar Volume: 226.5 cm³; (15)Polarizability: 28.77×10^-24cm³; (16)Surface Tension: 42.9 dyne/cm; (17)Density: 1.181 g/cm³; (18)Flash Point: 195.8 °C; (19)Enthalpy of Vaporization: 65.09 kJ/mol; (20)Boiling Point: 400.1 °C at 760 mmHg; (21)Vapour Pressure: 1.3E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(c1C(=O)OCC)N2CCCC2)C
(2)Std. InChI: InChI=1S/C14H18ClNO2/c1-3-18-14(17)13-11(15)8-10(2)9-12(13)16-6-4-5-7-16/h8-9H,3-7H2,1-2H3
(3)Std. InChIKey: MVVDFWZSLCYOPG-UHFFFAOYSA-N

Product Name

ETHYL 2-CHLORO-4-METHYL-6-TETRAHYDRO-1H-PYRROL-1-YLBENZOATE

Benzoic acid,2-chloro-4-methyl-6-(1-pyrrolidinyl)-, ethyl ester Specification

Related Products

Hot Products