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371-26-6

Basic Information
CAS No.: 371-26-6
Name: Ethyl 4,4,4-trifluorobutyrate
Article Data: 14
Molecular Structure:
Molecular Structure of 371-26-6 (Ethyl 4,4,4-trifluorobutyrate)
Formula: C6H9F3O2
Molecular Weight: 170.131
Synonyms: Butyricacid, 4,4,4-trifluoro-, ethyl ester (8CI);4,4,4-Trifluorobutanoic acid ethylester;4,4,4-Trifluorobutyric acid ethyl ester;Ethyl 4,4,4-trifluorobutanoate;
Density: 1.154 g/cm3
Boiling Point: 99.331 °C at 760 mmHg
Flash Point: -4.982 °C
Appearance: Light yellow liquid
Hazard Symbols: HarmfulXn, FlammableF
Risk Codes: 10-20/21/22-36/37
Safety: 16-26-36
Transport Information: UN 3272 3/PG 3
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Chemistry

Molecular Formula: C6H9F3O2
Molar mass: 170.1297 g/mol
Density: 1.153 g/cm3
Flash Point: 92 °F
Index of Refraction: 1.354
Boiling Point: 99.3 °C at 760 mmHg
Vapour Pressure: 38.5 mmHg at 25°C
Storage temp: Flammables area
Appearance: Light yellow liquid
Product categories: Carbonyl Compounds;Esters
Structure of Ethyl 4,4,4-trifluorobutyrate (371-26-6):
            
XLogP3-AA: 1.9
H-Bond Donor: 0
H-Bond Acceptor: 5
Systematic Name: Ethyl 4,4,4-trifluorobutanoate 
SMILES: FC(F)(F)CCC(=O)OCC 
InChI: InChI=1/C6H9F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2-4H2,1H3 
InChIKey: PSRZMXNNQTWAGB-UHFFFAOYAZ 
Std. InChI: InChI=1S/C6H9F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2-4H2,1H3 
Std. InChIKey: PSRZMXNNQTWAGB-UHFFFAOYSA-N

Toxicity Data With Reference

Carcinogenicity of Ethyl 4,4,4-trifluorobutyrate (371-26-6) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. And its toxicological properties have not been fully investigated.

Safety Profile

Hazard Codes: Xn,F
Risk Statements:
10:  Flammable
20:  Harmful by inhalation
21:  Harmful in contact with skin
22:  Harmful if swallowed 
36:  Irritating to the eyes
37:  Irritating to the respiratory system
Safety Statements:
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
36:  Wear suitable protective clothing

Specification

 Ethyl 4,4,4-trifluorobutyrate (371-26-6) also can be called Butanoic acid, 4,4,4-trifluoro-, ethyl ester and 4,4,4-Trifluorobutyric acid ethyl ester .It is hazardous,so the first aid measures and others should be known.Such as: When on the skin: first,should  flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing. Secondly,Get shoesmedical aid . Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.Then get medical aid soon.While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately.Notes to physician: Treat supportively and symptomatically.
In addition, Ethyl 4,4,4-trifluorobutyrate (371-26-6) could stabilize existence.It is not compatible with strong oxidizing agents,strong acids, strong bases, and you must not take it with  ignition sources and incompatible materials.And also prevent it to broken down into hazardous decomposition products: hydrogen fluoride gas, carbon dioxide,carbon monoxide.