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454-31-9

Basic Information
CAS No.: 454-31-9
Name: Aceticacid, 2,2-difluoro-, ethyl ester
Molecular Structure:
Molecular Structure of 454-31-9 (Aceticacid, 2,2-difluoro-, ethyl ester)
Formula: C4H6F2O2
Molecular Weight: 124.09
Synonyms: Aceticacid, difluoro-, ethyl ester (6CI,7CI,8CI,9CI);2,2-Difluoroacetic acid ethylester;Difluoroacetic acid ethyl ester;Ethyl 2,2-difluoroacetate;Ethyl difluoroacetic;
EINECS: 207-223-4
Density: 1.135 g/cm3
Melting Point:
Boiling Point: 76 °C at 760 mmHg
Flash Point: 1.1 °C
Solubility: Slightly soluble in water
Appearance: clear colorless liquid
Hazard Symbols: CorrosiveC, FlammableF, ToxicT, IrritantXi
Risk Codes: 34-10
Safety: 45-36/37/39-26-16-27
Transport Information: UN 1992
PSA: 26.30000
LogP: 0.81460
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Chemistry

IUPAC Name: Ethyl 2,2-difluoroacetate 
Following is the structure of Aceticacid, 2,2-difluoro-, ethyl ester (CAS NO.454-31-9):
                          
Molecular Formula: C4H6F2O2
Molecular Weight: 124.09g/mol
Mol File: 454-31-9.mol
EINECS: 207-223-4
Flash Point: 1.1 °C
Density: 1.135 g/cm3
Refractive index: 1.3465-1.3485
Surface Tension: 20.4 dyne/cm
Boiling point: 76 °C at 760 mmHg
Enthalpy of Vaporization: 31.71 kJ/mol
Vapour Pressure: 103 mmHg at 25°C
XLogP3-AA: 0.9
H-Bond Acceptor: 4
Molar Refractivity: 22.64 cm3
Molar Volume: 109.3 cm3
Appearance of Aceticacid, 2,2-difluoro-, ethyl ester (CAS NO.454-31-9): Colorless to light brown clear liquid
Product Categories of Aceticacid, 2,2-difluoro-, ethyl ester (CAS NO.454-31-9): Pharmaceutical Intermediates; Fluoro-Aliphatics ; Organic Fluorides; Fluorochemicals; Fluorinated Building Blocks; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; Synthetic Organic Chemistry; C2 to C5; Carbonyl Compounds; Esters
Canonical SMILES: CCOC(=O)C(F)F
InChI: InChI=1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3  
InChIKey: GZKHDVAKKLTJPO-UHFFFAOYSA-N

Safety Profile

Safety Information of Aceticacid, 2,2-difluoro-, ethyl ester (CAS NO.454-31-9):
Hazard Codes: CCorrosive,FFlammable,TToxic,XiIrritant
Risk Statements: 34-10 
10:  Flammable
34:  Causes burns
Safety Statements: 45-36/37/39-26-16-27
16:  Keep away from sources of ignition - No smoking 
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
27:  Take off immediately all contaminated clothing 
36:  Wear suitable protective clothing  
37:  Wear suitable gloves 
39:  Wear eye/face protection 
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) 
RIDADR: 1992
Hazard Note: Flammable
HazardClass: 3
PackingGroup: III  

Specification

 Aceticacid, 2,2-difluoro-, ethyl ester , its CAS NO. is 454-31-9, the synonyms are Ethyl difluoroacetate ; and Acetic acid, difluoro-, ethyl ester .