Ethyl fluoroacetate CAS NO.459-72-3

1.Introduction of 459-72-3

Ethyl fluoroacetate has the CAS registry number of 459-72-3. It has synonyms of ethyl fluoroacetate, ethyl monofl

1.Introduction of 459-72-3

Ethyl fluoroacetate has the CAS registry number of 459-72-3. It has synonyms of ethyl fluoroacetate, ethyl monofluoroacetate, fluoroacetic acid ethyl ester, aceticacid,fluoro-,ethylester, ethylester kyseliny fluoroctove, ethylesterkyselinyfluoroctove, fluoracetic acid ethyl ester, fluoro-aceticaciethylester. Its appearance is clear colorless liquid. It has high purity of 99.5%. And it is used as fluoro-aliphatics , fluorinated building blocks, fluorinating reagents & building blocks for fluorinated biochemical compounds, synthetic organic chemistry, c2 to c5, carbonyl compounds, esters.

2.Properties of 459-72-3

ACD/LogP: 0.586
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 0.59
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 5.5): 1.64
ACD/BCF (pH 7.4): 1.64
ACD/KOC (pH 5.5): 49.64
ACD/KOC (pH 7.4): 49.64
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
Polar Surface Area: 26.3  2
Index of Refraction: 1.354
Molar Refractivity: 22.519 cm3
Molar Volume: 103.492 cm3
Polarizability: 8.927 10-24cm3
Surface Tension: 22.55299949646 dyne/cm
Density: 1.025 g/cm3
Flash Point: 30 °C
Enthalpy of Vaporization: 35.625 kJ/mol
Boiling Point: 118 °C at 760 mmHg
Vapour Pressure: 16.9979991912842 mmHg at 25°C

3.Structure Descriptors of 459-72-3

(1)InChI: InChI=1S/C4H7FO2/c1-2-7-4(6)3-5/h2-3H2,1H3
(2)InChIKey: VCYZVXRKYPKDQB-UHFFFAOYSA-N
(3)Canonical SMILES : CCOC(=O)CF

4.Safety Information of 459-72-3

Hazard Codes: T+,T
Risk Statements: 10-26/27/28
Safety Statements: 13-36/37/39-45-28A-16
RIDADR: UN 2929 6.1/PG 1
WGK Germany: 3
RTECS: AH7175000
F: 21
Hazard Note: Toxic
HazardClass: 6.1(a)
PackingGroup: II
HS Code: 29159080

5.Toxity of 459-72-3