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Trifluoroacetamide

Trifluoroacetamide structure

CAS No:
354-38-1
Formula:
C2H2F3NO
Chemical Name:
Trifluoroacetamide
Synonyms:
Acetamide,2,2,2-trifluoro-;2,2,2-Trifluoroacetamide;Trifluoroacetamide;NSC 9449
Categories:
Chemical Reagents > Organic Reagents

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Description

white to pale yellow or beige crystalline powder

Trifluoroacetamide Basic Attributes

Molecular Weight：

113.03900

Exact Mass：

113.04

EC Number：

206-559-9

UNII：

36MU16BYFK

NSC Number：

9449

DSSTox ID：

DTXSID1059868

HScode：

2924199090

Characteristics

PSA：

43.09000

XLogP3：

0.1

Appearance：

White to pale yellow or beige crystalline powder

Density：

1.435g/cm3

Melting Point：

72.5 °C

Boiling Point：

162.5 °C

Flash Point：

52.1ºC

Refractive Index：

1.314

Water Solubility：

H2O: 460 g/L (20 ºC)

Storage Conditions：

Store at RT.

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1759

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Drug Information

MeSH Entry Terms：

trifluoroacetamide

Trifluoroacetamide Use and Manufacturing

Uses

Pharmaceutical intermediate

Manufacturing Info：

Acetamide, 2,2,2-trifluoro-: ACTIVE

Computed Properties

Molecular Weight:113.04
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:113.00884817
Monoisotopic Mass:113.00884817
Topological Polar Surface Area:43.1
Heavy Atom Count:7
Complexity:85.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Glutaric acid

Diethylenetriamine

1-Octanol

Adipic acid

Ammonium hydroxide

Oxalic acid

Benzoic acid

Acetonitrile

Trifluoroacetic acid

Glycolic acid

Oxalyl chloride

Downstream Products

1-Octanol

Ammonia

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