ChemicalBook--->CAS DataBase List--->400-38-4

400-38-4

400-38-4 Structure

400-38-4 Structure
IdentificationMore
[Name]

ISOPROPYL TRIFLUOROACETATE
[CAS]

400-38-4
[Synonyms]

1,1,1-TRIFLUOROISOPROPYL ACETATE
ISOPROPYL TRIFLUOROACETATE
TRIFLUOROACETIC ACID ISOPROPYL ESTER
1-methylethyltrifluoroacetate
Acetic acid, trifluoro-, 1-methylethyl ester
Isopropyltrifluoroacetate,97%
Isopropyl trifluoroacetate 98%
Isopropyltrifluoroacetate98%
Trifluoroacetic acid 1-methylethyl ester
[EINECS(EC#)]

206-922-1
[Molecular Formula]

C5H7F3O2
[MDL Number]

MFCD00013566
[Molecular Weight]

156.1
[MOL File]

400-38-4.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Melting point ]

<-78°C
[Boiling point ]

73 °C749 mm Hg(lit.)
[density ]

1.108 g/mL at 25 °C(lit.)
[vapor pressure ]

12.192-15.654kPa at 20-25℃
[refractive index ]

n20/D 1.319(lit.)
[Fp ]

16 °F
[storage temp. ]

Flammables area
[form ]

Liquid
[color ]

Clear colorless
[Specific Gravity]

1.108
[Sensitive ]

Moisture Sensitive
[BRN ]

1764312
[InChI]

InChI=1S/C5H7F3O2/c1-3(2)10-4(9)5(6,7)8/h3H,1-2H3
[InChIKey]

ASAXRKSDVDALDT-UHFFFAOYSA-N
[SMILES]

C(OC(C)C)(=O)C(F)(F)F
[LogP]

1.55-1.84
[CAS DataBase Reference]

400-38-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

F,C
[Risk Statements ]

R11:Highly Flammable.
R34:Causes burns.
R36/37:Irritating to eyes and respiratory system .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2924 3/PG 2
[WGK Germany ]

3
[Hazard Note ]

Flammable/Corrosive
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29159000
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Uses]

Isopropyl trifluoroacetate serves as a water scavenger and solvent in the manufacture of various chemicals[1].
[Synthesis]

Isopropyl trifluoroacetate is produced by esterifying trifluoroacetic acid with 2-propanol, allowing for recovery from dilute aqueous solutions and subsequent separation via distillation[1].
[References]

[1]Mahajan, Y. S., Shah, A. K., Kamath, R. S., Salve, N. B., & Mahajani, S. M. (2008). Recovery of trifluoroacetic acid from dilute aqueous solutions by reactive distillation. Separation and Purification Technology, 59(1), 58–66. https://doi.org/10.1016/j.seppur.2007.05.027
Spectrum DetailBack Directory
[Spectrum Detail]

ISOPROPYL TRIFLUOROACETATE(400-38-4)1HNMR
ISOPROPYL TRIFLUOROACETATE(400-38-4)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Isopropyl trifluoroacetate, 98%(400-38-4)
[Alfa Aesar]

Isopropyl trifluoroacetate, 97%(400-38-4)
[Sigma Aldrich]

400-38-4(sigmaaldrich)
[TCI AMERICA]

Trifluoroacetic Acid Isopropyl Ester,>98.0%(GC)(400-38-4)
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