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Merck
CN

35361

Supelco

Diclofenac-(acetophenyl ring-13C6) sodium salt hemi(nonahydrate)

VETRANAL®, analytical standard

Synonym(s):

[2-(2,6-Dichlorophenylamino)phenyl13C6]acetic acid sodium salt hemi(nonahydrate)

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About This Item

Empirical Formula (Hill Notation):
13C6C8H10Cl2NNaO2 · 4.5H2O
CAS Number:
1261393-73-0
Molecular Weight:
405.16
MDL number:
MFCD20264909
UNSPSC Code:
41116107
PubChem Substance ID:
329755130
NACRES:
NA.24

Key Documents

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grade

analytical standard

Quality Level

100

product line

VETRANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

application(s)

forensics and toxicology
pharmaceutical (small molecule)

format

neat

mass shift

M+12

SMILES string

O.O.O.O.O.O.O.O.O.[Na+].[Na+].[O-]C(=O)C[13c]1[13cH][13cH][13cH][13cH][13c]1Nc2c(Cl)cccc2Cl.[O-]C(=O)C[13c]3[13cH][13cH][13cH][13cH][13c]3Nc4c(Cl)cccc4Cl

InChI

1S/2C14H11Cl2NO2.2Na.9H2O/c2*15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;;;;;;;;;;;/h2*1-7,17H,8H2,(H,18,19);;;9*1H2/q;;2*+1;;;;;;;;;/p-2/i2*1+1,2+1,4+1,7+1,9+1,12+1;;;;;;;;;;;

InChI key

PRLOWEIBESKIQR-IJYJQIEZSA-L

Related Categories

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

VETRANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

Signal Word

Danger

Hazard Statements

H301,H410

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 2

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCL3425
BCCG8872
BCCD7644
BCCC7053
BCCB5563

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Magda Caban et al.
Analytical methods : advancing methods and applications, 12(30), 3854-3864 (2020-07-24)
The study aimed to show the limitations and advantages of the use of stable isotope labeled internal standards (SILISs) for the quantification of small polar compounds (ibuprofen, diclofenac, metoprolol, bisphenol A, 17β-estradiol) in water samples by GC/MS with selected ion

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