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35361

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

Name: Diclofenac-(acetophenyl ring-<SUP>13</SUP>C<SUB>6</SUB>) sodium salt hemi(nonahydrate)
Brand: SIAL

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

NACRES:

NA.24

PubChem Substance ID:

329755130

UNSPSC Code:

41116107

MDL number:

MFCD20264909

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Properties

grade

analytical standard

Quality Segment

100

product line

VETRANAL^®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, chromatography: 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

Description

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

GHS06,GHS09

Signal Word

Danger

Hazard Codes

H301,H410

Precautionary Statements

P264 - P273 - P301 + P310 - P391 - P405 - P501

Hazard Classifications

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

Storage Class

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)

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