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717908

Sigma-Aldrich

Chloroform solution

NMR reference standard, 50% in acetone-d6 (99.9 atom % D), chromium(III) acetylacetonate 0.2 %

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About This Item

MDL number:
MFCD00000826
UNSPSC Code:
12190000
PubChem Substance ID:
329763532
NACRES:
NA.04

grade

NMR reference standard

Quality Level

200

form

solution

composition

chromium(III) acetylacetonate, 0.2%

concentration

50% in acetone-d6 (99.9 atom % D)

technique(s)

NMR: suitable

NMR tube size

5 mm × 7 in.
5 mm × 8 in.

SMILES string

ClC(Cl)Cl

InChI

1S/CHCl3/c2-1(3)4/h1H

InChI key

HEDRZPFGACZZDS-UHFFFAOYSA-N

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Features and Benefits

1H line shape

Quantity

5 mm O.D. tube contains 0.700 mL.

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 1 Oral - STOT SE 3

Target Organs

Central nervous system, Liver,Kidney

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

-2.2 °F

Flash Point(C)

-19 °C

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Certificates of Analysis (COA)

Lot/Batch Number
MBBC3536
MBBB7555V
MBBB1572V
MBBB0550V
TA1545V

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A Guerra et al.
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A neural model based on a numerical molecular representation using CODES program to predict oral absorption of any structure is described. This model predicts both high and low-absorbed compounds with a global accuracy level of 74%. CODES/ANN methodology shows promising
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Values of in vitro gas to lung partition coefficients, K(lung), of VOCs have been collected from the literature. For 44 VOCs, application of the Abraham solvation equation to log K(lung) yielded a correlation with R(2)=0.968 and S.D.=0.25 log units. Combination
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