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Key Documents

665797

Sigma-Aldrich

(S)-(−)-3,3,3-Trifluoro-1,2-epoxypropane

97%

Synonym(s):

(S)-(−)-2-(Trifluoromethyl)oxirane

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About This Item

Empirical Formula (Hill Notation):
C3H3F3O
CAS Number:
Molecular Weight:
112.05
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

97%

refractive index

n20/D <1.300

bp

25-32 °C

density

1.294 g/mL at 25 °C

storage temp.

−20°C

SMILES string

FC(F)(F)[C@@H]1CO1

InChI

1S/C3H3F3O/c4-3(5,6)2-1-7-2/h2H,1H2/t2-/m0/s1

InChI key

AQZRARFZZMGLHL-REOHCLBHSA-N

Application

Precursor to a trifluoromethyl chiral auxiliary which promotes a highly diastereoselective Simmons-Smith cyclopropanation.

Pictograms

Flame

Signal Word

Danger

Hazard Statements

Precautionary Statements

Hazard Classifications

Flam. Liq. 1

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

-14.8 °F

Flash Point(C)

-26 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Tetrahedron Asymmetry, 17, 1157-1157 (2006)

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