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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:
MFCD00000826
UNSPSC Code:
12190000
PubChem Substance ID:
329762840
NACRES:
NA.12

grade

NMR reference standard

Quality Level

200

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.

Signal Word

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

Supplementary Hazards

EUH066

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

1.4 °F

Flash Point(C)

-17 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

EU REACH Annex XVII (Restriction List)

CAS No.

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Certificates of Analysis (COA)

Lot/Batch Number
MBBD2369
MBBC3749
MBBB3967V
MBBB0456V
TA2546V

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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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