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Merck

708976

Sigma-Aldrich

Chloroform solution

NMR reference standard, 3% in acetone-d6 (99.9 atom % D)

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About This Item

MDL number:
UNSPSC Code:
12190000
PubChem Substance ID:
NACRES:
NA.12

grade

NMR reference standard

Quality Level

form

solution

concentration

3% 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.

signalword

Danger

Hazard Classifications

Carc. 2 - Eye Irrit. 2 - Flam. Liq. 2 - Repr. 2 - STOT RE 2 Oral - STOT SE 3

target_organs

Central nervous system, Liver,Kidney

supp_hazards

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

1.4 °F

flash_point_c

-17 °C

ppe

Eyeshields, Faceshields, Gloves


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A Guerra et al.
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Michael H Abraham et al.
European journal of medicinal chemistry, 43(3), 478-485 (2007-06-05)
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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