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91681

Sigma-Aldrich

N-(5-Hydroxypentyl)trifluoroacetamide

≥98.0% (GC)

Synonym(s):

5-(Trifluoroacetamido)-1-pentanol

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About This Item

Empirical Formula (Hill Notation):
C7H12F3NO2
CAS Number:
128238-44-8
Molecular Weight:
199.17
Beilstein:
6644762
MDL number:
MFCD01863126
UNSPSC Code:
12352202
PubChem Substance ID:
57653445
NACRES:
NA.22

Assay

≥98.0% (GC)

form

liquid

reaction suitability

reagent type: cross-linking reagent

refractive index

n20/D 1.420

density

1.248 g/mL at 20 °C (lit.)

SMILES string

OCCCCCNC(=O)C(F)(F)F

InChI

1S/C7H12F3NO2/c8-7(9,10)6(13)11-4-2-1-3-5-12/h12H,1-5H2,(H,11,13)

InChI key

SCHGQSPQAJAJRI-UHFFFAOYSA-N

Other Notes

Selective mono-O-alkylation is accomplished by N,O-dianion formation prior to alkylation; otherwise, preferential N-alkylation takes place

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Precautionary Statements

P261 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

228.2 °F - closed cup

Flash Point(C)

109 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
063323/1
63323/1

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R. Hirschmann et al.
Tetrahedron Letters, 36, 2373-2373 (1995)
R. Hirschmann et al.
Journal of the American Chemical Society, 115, 12550-12550 (1996)

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