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710717

Sigma-Aldrich

Trichlorofluoromethane solution

NMR reference standard, 10% in acetone-d6 (99.9 atom % D), TMS 6 %, 1,2-dichloro-1,1-difluoroethane 1 %

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About This Item

CAS Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.12

grade

NMR reference standard

form

solution

composition

1,2-dichloro-1,1-difluoroethane, 1%
TMS, 6%

concentration

10% in acetone-d6 (99.9 atom % D)

technique(s)

NMR: suitable

NMR tube size

5 mm × 8 in.

SMILES string

FC(Cl)(Cl)Cl

InChI

1S/CCl3F/c2-1(3,4)5

InChI key

CYRMSUTZVYGINF-UHFFFAOYSA-N

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Quantity

5 mm O.D. tube contains 0.700 mL.

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - Ozone 1 - STOT SE 3

Target Organs

Central nervous system

Supplementary Hazards

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

32.0 °F - closed cup

Flash Point(C)

0 °C - closed cup


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Nonresonant laser-induced multiphoton dissociation/ionization studies have been conducted for trichloromethane (CHCl3) and trichlorofluoromethane (CFCl3) at 355 nm, using time-of-flight mass spectrometry (TOFMS). The molecular ion signal was found to be missing for both these compounds, and very similar fragmentation patterns
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Ab initio calculations have been performed on complexes of CFCl3 with SO2. Ten complexes were found stable, the interaction energies that reflect their stability were corrected by the basis set superposition error and the correction of zero-point energy. The natures

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