Ethyl 3,4-difluorobenzoate supplier

Name
ETHYL 3,4-DIFLUOROBENZOATE
EINECS
CAS No. 144267-96-9
Article Data5
CAS DataBase
Density 1.223 g/cm³
Solubility
Melting Point
Formula C₉H₈F₂O₂
Boiling Point 223.408 °C at 760 mmHg
Molecular Weight 186.158
Flash Point 86.556 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi,F
Synonyms 3,4-Difluorobenzoicacid ethyl ester;Ethyl 3,4-difluorobenzoate;
PSA 26.30000
LogP 2.14150

Ethyl 3,4-difluorobenzoate Specification

The Ethyl 3,4-difluorobenzoate with the CAS number 144267-96-9 is also called Benzoic acid,3,4-difluoro-, ethyl ester. Its molecular formula is C₉H₈F₂O₂. The chemical belongs to the following product categories: (1)Aromatic Esters; (2)Benzoic acid; (3)Acids & Esters; (4)Fluorine Compounds.

The properties of the chemical are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 106.79; (6)ACD/BCF (pH 7.4): 106.79; (7)ACD/KOC (pH 5.5): 985.42; (8)ACD/KOC (pH 7.4): 985.42; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 42.64 cm³; (15)Molar Volume: 152.2 cm³; (16)Polarizability: 16.9×10^-24cm³; (17)Surface Tension: 33.4 dyne/cm; (18)Enthalpy of Vaporization: 45.99 kJ/mol; (19)Vapour Pressure: 0.0964 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(C(=O)OCC)cc1F
(2)InChI: InChI=1/C9H8F2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3
(3)InChIKey: NKIWNSXGZXESSM-UHFFFAOYAU

Product Name

ETHYL 3,4-DIFLUOROBENZOATE

Ethyl 3,4-difluorobenzoate Specification

Related Products

Hot Products