Name: Labeled Chlorophenol Mixture (MCPS) 100 µg/mL in Isooctane
Brand: Dr. Ehrenstorfer
SKU: DRE-A30000114IO

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Product Overview

Product Code

DRE-A30000114IO

CAS Number

5 Analytes

Product Format

Mixture

Solvent

Isooctane

Product Categories

Phenol and Aromatic Compound Reference Materials , Dr. Ehrenstorfer

Product Type

Stable Isotope Labelled

Alternate CAS Number

5 Analytes

Unlabelled CAS Number

5 Analytes

Documentation

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Product Information

Analyte Name

Measured Value

CAS Number

Molecular Structure

2,3,4,5-Tetrachlorophenol (13C6)

CAS Number

Alternate CAS Number

Unlabelled CAS Number

4901-51-3

Molecular Formula

13C6 H2 Cl4 O

Molecular Weight

237.85

Accurate Mass

235.9061

SMILES

O[13c]1[13cH][13c](Cl)[13c](Cl)[13c](Cl)[13c]1Cl

InChI

InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H/i1+1,2+1,3+1,4+1,5+1,6+1

IUPAC

2,3,4,5-tetrachloro(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-ol

2,4,5-Trichlorophenol-13C6

CAS Number

2483736-12-3

Alternate CAS Number

Unlabelled CAS Number

95-95-4

Molecular Formula

13C6 H3 Cl3 O

Molecular Weight

203.40

Accurate Mass

201.9451

SMILES

O[13c]1[13cH][13c](Cl)[13c](Cl)[13cH][13c]1Cl

InChI

InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H/i1+1,2+1,3+1,4+1,5+1,6+1

IUPAC

2,4,5-trichloro(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-ol

2,4-Dichlorophenol13C6

CAS Number

1202864-83-2

Alternate CAS Number

120-83-2

Unlabelled CAS Number

Molecular Formula

13C6 H4 Cl2 O

Molecular Weight

168.96

Accurate Mass

167.984

SMILES

O[13c]1[13cH][13cH][13c](Cl)[13cH][13c]1Cl

InChI

InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H/i1+1,2+1,3+1,4+1,5+1,6+1

IUPAC

2,4-dichloro(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-ol

4-Chlorophenol-13C6

CAS Number

475295-86-4

Alternate CAS Number

106-48-9

Unlabelled CAS Number

106-48-9

Molecular Formula

13C6 H5 Cl O

Molecular Weight

134.51

Accurate Mass

134.023

SMILES

O[13c]1[13cH][13cH][13c](Cl)[13cH][13cH]1

InChI

InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H/i1+1,2+1,3+1,4+1,5+1,6+1

IUPAC

4-chloro(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-ol

Pentachlorophenol 13C6

CAS Number

85380-74-1

Alternate CAS Number

Unlabelled CAS Number

87-86-5

Molecular Formula

13C6 H Cl5 O

Molecular Weight

272.29

Accurate Mass

269.8671

SMILES

O[13c]1[13c](Cl)[13c](Cl)[13c](Cl)[13c](Cl)[13c]1Cl

InChI

InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H/i1+1,2+1,3+1,4+1,5+1,6+1

IUPAC

2,3,4,5,6-pentachloro(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-ol

Storage Temperature

+20°C

Shipping Temperature

+20°C

Country of Origin

GERMANY

Product Type

Stable Isotope Labelled

Product Format

Mixture

Solvent

Isooctane

Product citations

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Labeled Chlorophenol Mixture (MCPS) 100 µg/mL in Isooctane

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