Ethyl 3-ethyl-4-fluorobenzoate supplier

Name
Ethyl 3-ethyl-4-fluorobenzoate
EINECS
CAS No. 1112179-00-6
Density 1.085 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃FO₂
Boiling Point 258.622 °C at 760 mmHg
Molecular Weight 196.2181
Flash Point 106.969 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 3-ethyl-4-fluoro-benzoate;
PSA 26.30000
LogP 2.56480

Ethyl 3-ethyl-4-fluorobenzoate Specification

The Ethyl 3-ethyl-4-fluorobenzoate has CAS registry number 1112179-00-6. This chemical's molecular formula is C₁₁H₁₃FO₂ and molecular weight is 196.2181. What's more, its systematic name is Ethyl 3-ethyl-4-fluoro-benzoate.

Physical properties about Ethyl 3-ethyl-4-fluorobenzoate are: (1)ACD/LogP: 4.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.138; (4)ACD/LogD (pH 7.4): 4.138; (5)ACD/BCF (pH 5.5): 821.613; (6)ACD/BCF (pH 7.4): 821.613; (7)ACD/KOC (pH 5.5): 4245.41; (8)ACD/KOC (pH 7.4): 4245.41; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 52.202 cm³; (15)Molar Volume: 180.86 cm³; (16)Polarizability: 20.694×10^-24 cm³; (17)Surface Tension: 33.658 dyne/cm; (18)Density: 1.085 g/cm³; (19)Flash Point: 106.969 °C; (20)Enthalpy of Vaporization: 49.623 kJ/mol; (21)Boiling Point: 258.622 °C at 760 mmHg; (22)Vapour Pressure: 0.014 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCc1cc(ccc1F)C(=O)OCC
(2) InChI: InChI=1/C11H13FO2/c1-3-8-7-9(5-6-10(8)12)11(13)14-4-2/h5-7H,3-4H2,1-2H3
(3) InChIKey: OWCOCXLSTDUPBP-UHFFFAOYAO

Product Name

Ethyl 3-ethyl-4-fluorobenzoate

Ethyl 3-ethyl-4-fluorobenzoate Specification

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