Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Chloro-5-fluorobenzoic acid ethyl ester |
EINECS | N/A |
CAS No. | 57381-63-2 | Density | 1.266 g/cm3 |
PSA | 26.30000 | LogP | 2.65580 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H8ClFO2 | Boiling Point | 253.4 °C at 760 mmHg |
Molecular Weight | 202.61 | Flash Point | 103.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethyl 2-chloro-5-fluorobenzoate; |
Article Data | 2 |
The 2-Chloro-5-fluorobenzoic acid ethyl ester, with the CAS registry number 57381-63-2, is also known as Benzoic acid, 2-chloro-5-fluoro-, ethyl ester. This chemical's molecular formula is C9H8ClFO2 and molecular weight is 202.61. What's more, its systematic name is Ethyl 2-chloro-5-fluorobenzoate.
Physical properties about 2-Chloro-5-fluorobenzoic acid ethyl ester are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 163.48; (6)ACD/BCF (pH 7.4): 163.48; (7)ACD/KOC (pH 5.5): 1336.61; (8)ACD/KOC (pH 7.4): 1336.61; (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: 1.506; (14)Molar Refractivity: 47.54 cm3; (15)Molar Volume: 159.9 cm3; (16)Polarizability: 18.84×10-24 cm3; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.266 g/cm3; (19)Flash Point: 103.8 °C; (20)Enthalpy of Vaporization: 49.08 kJ/mol; (21)Boiling Point: 253.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0183 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1cc(F)ccc1Cl
(2) InChI: InChI=1/C9H8ClFO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3
(3) InChIKey: GWENTXANAYAWIK-UHFFFAOYAL