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Isopropyl trifluoroacetate

Isopropyl trifluoroacetate structure

Isopropyl trifluoroacetate 

structure
  • CAS No:

    400-38-4

  • Formula:

    C5H7F3O2

  • Chemical Name:

    Isopropyl trifluoroacetate

  • Synonyms:

    Acetic acid,2,2,2-trifluoro-,1-methylethyl ester;Acetic acid,trifluoro-,isopropyl ester;Acetic acid,trifluoro-,1-methylethyl ester;Isopropyl trifluoroacetate;Trifluoroacetic acid isopropyl ester

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

clear colorless liquid

Isopropyl trifluoroacetate Basic Attributes

156.10300

156.10

206-922-1

DTXSID80193060

2915900090

Characteristics

26.30000

1.50030

clear, colorless liquid

1.077 g/cm3 @ Temp: 25 °C

73.5 °C

16 °F

n20/D 1.319(lit.)

Flammables area

Safety Information

II

3

UN 2924 3

3

R11

S16-S26-S27-S45-S36-S37-S39

Xi; F; C

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P370+P378, P403+P233, P403+P235, P405, P501

H225

Computed Properties

Molecular Weight:156.10
XLogP3:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:156.03981395
Monoisotopic Mass:156.03981395
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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