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Merck
CN

91682

N-(3-Hydroxypropyl)trifluoroacetamide

≥98.0% (GC)

Synonym(s):

3-(Trifluoroacetamido)-1-propanol

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About This Item

Empirical Formula (Hill Notation):
C5H8F3NO2
CAS Number:
78008-15-8
Molecular Weight:
171.12
UNSPSC Code:
12352200
NACRES:
NA.22
PubChem Substance ID:
57653446
MDL number:
MFCD01328307
Beilstein/REAXYS Number:
4969338
Assay:
≥98.0% (GC)
Form:
liquid

Key Documents

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InChI

1S/C5H8F3NO2/c6-5(7,8)4(11)9-2-1-3-10/h10H,1-3H2,(H,9,11)

SMILES string

OCCCNC(=O)C(F)(F)F

InChI key

LOTWHTFZRDJSCL-UHFFFAOYSA-N

assay

≥98.0% (GC)

form

liquid

reaction suitability

reagent type: cross-linking reagent

refractive index

n20/D 1.406

bp

120-121 °C/0.03 mmHg (lit.)

density

1.355 g/mL at 20 °C (lit.)

Other Notes

N-Protected 3-aminopropanol

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
063324/1
63324/1

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Zoltán Dienes et al.
The Journal of organic chemistry, 61(20), 6958-6970 (1996-10-04)
The BF(3).Et(2)O-promoted Diels-Alder addition of 1-acetylvinyl RADO(Et)-ate (RADO(Et)-ate = 3-ethyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-exo-carboxylate) to 1-(dimethoxymethyl)-2,3,5,6-tetramethylidene-7-oxabicyclo[2.2.1]heptane led to one major monoadduct that added to 1,2-didehydrobenzene and was converted into (-)-4-demethoxy-7-deoxydaunomycinone and (2R)-12-acetoxy-2-acetyl-5-(bromomethyl)-1,2,3,4-tetrahydronaphthacen-2-yl RADO(Et)-ate. The latter compound was used to construct (8R)-8-acetyl-6,8-dihydroxy-11-[[(3'-[(aminopropyl)oxy]-, -4'-[(aminobutyl)oxy], and -5'-[(aminopentyl)oxy]methyl]-7,8,9,10-tetrahydronaphthacene-5,12-dione

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