708976
Chloroform solution
NMR reference standard, 3% in acetone-d6 (99.9 atom % D)
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About This Item
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grade
NMR reference standard
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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Related Categories
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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The identification of phospholipidosis (PPL) during preclinical testing in animals is a recognized problem in the pharmaceutical industry. Depending on the intended indication and dosing regimen, PPL can delay or stop development of a compound in the drug discovery process.
Ilaria Massarelli et al.
European journal of medicinal chemistry, 44(9), 3658-3664 (2009-03-11)
A dataset comprising 55 chemicals with hepatocarcinogenic potency indices was collected from the Carcinogenic Potency Database with the aim of developing QSAR models enabling prediction of the above unwanted property for New Chemical Entities. The dataset was rationally split into
A Guerra et al.
European journal of medicinal chemistry, 45(3), 930-940 (2009-12-22)
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
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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