Acid Extractables Mixture-3
Product Code
CIL-ES-2036
CAS Number
12 AnalytesProduct Format
Mixture
Regulatory Method
U.S EPA Methods 1624/1625 Standard Mixtures
Product Categories
Product Type
Stable Isotope LabelledUnlabelled CAS Number
12 AnalytesShare product
- Product Name: Acid Extractables Mixture-3
- Product Code: CIL-ES-2036
- Brand: CIL
Documentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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2-Methyl-4,6-dinitrophenol ring-d2
5000 µg/mL
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CAS Number
Alternate CAS Number
Unlabelled CAS Number
Molecular Formula
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Molecular Weight
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Accurate Mass
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Melting Point
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Appearance/Form
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SMILES
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InChI
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IUPAC
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2,4,5-Trichlorophenol ring-d2
CAS Number
Alternate CAS Number
Unlabelled CAS Number
Molecular Formula
C6 2H2 H Cl3 O
Molecular Weight
199.46
Accurate Mass
197.9375
SMILES
[2H]c1c(O)c(Cl)c([2H])c(Cl)c1Cl
InChI
InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H/i1D,2D
IUPAC
2,4,5-trichloro-3,6-dideuteriophenol
2,4,6-Trichlorophenol ring-d2
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C6 2H2 H Cl3 O
Molecular Weight
199.46
Accurate Mass
197.9375
SMILES
[2H]c1c(Cl)c([2H])c(Cl)c(O)c1Cl
InChI
InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H/i1D,2D
IUPAC
2,4,6-trichloro-3,5-dideuteriophenol
2,4-Dichlorophenol-3,5,6 D3
CAS Number
Alternate CAS Number
Unlabelled CAS Number
Molecular Formula
C6 2H3 H Cl2 O
Molecular Weight
166.02
Accurate Mass
164.9828
SMILES
[2H]c1c([2H])c(Cl)c([2H])c(Cl)c1O
InChI
InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H/i1D,2D,3D
IUPAC
2,4-dichloro-3,5,6-trideuteriophenol
2,4-Dimethylphenol-3,5,6-D3
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C8 2H3 H7 O
Molecular Weight
125.185
Accurate Mass
125.092
SMILES
[2H]c1c([2H])c(O)c(C)c([2H])c1C
InChI
InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3/i3D,4D,5D
IUPAC
2,3,5-trideuterio-4,6-dimethylphenol
2,4-Dinitrophenol D3
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C6 D3 H N2 O5
Molecular Weight
187.125
Accurate Mass
187.0309
SMILES
[2H]c1c([2H])c(c([2H])c(c1O)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H/i1D,2D,3D
IUPAC
2,3,5-trideuterio-4,6-dinitro-phenol
2-Chlorophenol-3,4,5,6-D4
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C6 2H4 H Cl O
Molecular Weight
132.58
Accurate Mass
132.028
SMILES
[2H]c1c([2H])c([2H])c(Cl)c(O)c1[2H]
InChI
InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H/i1D,2D,3D,4D
IUPAC
2-chloro-3,4,5,6-tetradeuteriophenol
2-Methyl-4,6-dinitrophenol ring-d2
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C7 2H2 H4 N2 O5
Molecular Weight
200.15
Accurate Mass
200.0402
SMILES
[2H]c1c(C)c(O)c(c([2H])c1[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3/i2D,3D
IUPAC
3,5-dideuterio-2-methyl-4,6-dinitrophenol
2-Nitrophenol-d4
CAS Number
Alternate CAS Number
Unlabelled CAS Number
Molecular Formula
C6 D4 H N O3
Molecular Weight
143.1334
Accurate Mass
143.0521
SMILES
[2H]c1c([2H])c([2H])c(c(O)c1[2H])[N+](=O)[O-]
InChI
InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H/i1D,2D,3D,4D
IUPAC
2,3,4,5-tetradeuterio-6-nitrophenol
4-Chloro-3-methylphenol 2,6-d2
CAS Number
Alternate CAS Number
Unlabelled CAS Number
Molecular Formula
C7 2H2 H5 Cl O
Molecular Weight
144.60
Accurate Mass
144.0311
SMILES
[2H]c1cc(Cl)c(C)c([2H])c1O
InChI
InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3/i2D,4D
IUPAC
4-chloro-2,6-dideuterio-3-methylphenol
4-Nitrophenol-2,3,5,6-D4
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C6 2H4 H N O3
Molecular Weight
143.13
Accurate Mass
143.0521
SMILES
[2H]c1c([2H])c(c([2H])c([2H])c1O)[N+](=O)[O-]
InChI
InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H/i1D,2D,3D,4D
IUPAC
2,3,5,6-tetradeuterio-4-nitrophenol
Pentachlorophenol 13C6
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
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
Phenol-d5
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C6 D5 H O
Molecular Weight
99.14
Accurate Mass
99.0732
SMILES
[2H]c1c([2H])c([2H])c(O)c([2H])c1[2H]
InChI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1D,2D,3D,4D,5D
IUPAC
2,3,4,5,6-Pentadeuteriophenol
Product Data
Storage Temperature
Room Temperature
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Product Format
Mixture
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