Phenol Mixture for HJ 703-2014 1000 µg/mL in Hexane
Product Code
DRE-GA09000537HE
CAS Number
21 AnalytesProduct Format
Mixture
Solvent
Hexane
Product Categories
Dr. Ehrenstorfer, Phenol and aromatic compounds, GB and HJ Methods
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Documentation
Certificate of Analysis
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Safety Data Sheet
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Product Information
Analyte Name
Concentration
CAS Number
Molecular Structure
2,3,4,5-Tetrachlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H2 Cl4 O
Molecular Weight
231.89
Accurate Mass
229.886
SMILES
Oc1cc(Cl)c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H
IUPAC
2,3,4,5-tetrachlorophenol
2,3,4,6-Tetrachlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H2 Cl4 O
Molecular Weight
231.89
Accurate Mass
229.886
SMILES
Oc1c(Cl)cc(Cl)c(Cl)c1Cl
InChI
InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H
IUPAC
2,3,4,6-tetrachlorophenol
2,3,5,6-Tetrachlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H2 Cl4 O
Molecular Weight
231.89
Accurate Mass
229.886
SMILES
Oc1c(Cl)c(Cl)cc(Cl)c1Cl
InChI
InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
IUPAC
2,3,5,6-tetrachlorophenol
2,4,5-Trichlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H3 Cl3 O
Molecular Weight
197.45
Accurate Mass
195.9249
SMILES
Oc1cc(Cl)c(Cl)cc1Cl
InChI
InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
IUPAC
2,4,5-trichlorophenol
2,4,6-Trichlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H3 Cl3 O
Molecular Weight
197.45
Accurate Mass
195.9249
SMILES
Oc1c(Cl)cc(Cl)cc1Cl
InChI
InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
IUPAC
2,4,6-trichlorophenol
2,4-Dichlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl2 O
Molecular Weight
163.00
Accurate Mass
161.9639
SMILES
Oc1ccc(Cl)cc1Cl
InChI
InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
IUPAC
2,4-dichlorophenol
2,4-Dimethylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 O
Molecular Weight
122.16
Accurate Mass
122.0732
SMILES
Cc1ccc(O)c(C)c1
InChI
InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
IUPAC
2,4-dimethylphenol
2,4-Dinitrophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 N2 O5
Molecular Weight
184.11
Accurate Mass
184.012
SMILES
Oc1ccc(cc1[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
IUPAC
2,4-dinitrophenol
2,6-Dichlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl2 O
Molecular Weight
163.00
Accurate Mass
161.9639
SMILES
Oc1c(Cl)cccc1Cl
InChI
InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
IUPAC
2,6-dichlorophenol
2-Chlorophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H5 Cl O
Molecular Weight
128.56
Accurate Mass
128.0029
SMILES
Oc1ccccc1Cl
InChI
InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
IUPAC
2-chlorophenol
2-Cyclohexyl-4,6-dinitrophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H14 N2 O5
Molecular Weight
266.25
Accurate Mass
266.0903
SMILES
Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C2CCCCC2
InChI
InChI=1S/C12H14N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h6-8,15H,1-5H2
IUPAC
2-cyclohexyl-4,6-dinitrophenol
2-Methyl-4,6-dinitrophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H6 N2 O5
Molecular Weight
198.13
Accurate Mass
198.0277
SMILES
Cc1cc(cc(c1O)[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
IUPAC
2-methyl-4,6-dinitrophenol
2-Methylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H8 O
Molecular Weight
108.14
Accurate Mass
108.0575
SMILES
Cc1ccccc1O
InChI
InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
IUPAC
2-methylphenol
2-Nitrophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H5 N O3
Molecular Weight
139.11
Accurate Mass
139.0269
SMILES
Oc1ccccc1[N+](=O)[O-]
InChI
InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
IUPAC
2-nitrophenol
3-Methylphenol (m-Cresol)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H8 O
Molecular Weight
108.14
Accurate Mass
108.0575
SMILES
Cc1cccc(O)c1
InChI
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
IUPAC
3-methylphenol
4-Chloro-3-methylphenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H7 Cl O
Molecular Weight
142.58
Accurate Mass
142.0185
SMILES
Cc1cc(O)ccc1Cl
InChI
InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
IUPAC
4-chloro-3-methylphenol
4-Methylphenol (p-Cresol)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H8 O
Molecular Weight
108.14
Accurate Mass
108.0575
SMILES
Cc1ccc(O)cc1
InChI
InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
IUPAC
4-methylphenol
4-Nitrophenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H5 N O3
Molecular Weight
139.11
Accurate Mass
139.0269
SMILES
Oc1ccc(cc1)[N+](=O)[O-]
InChI
InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
IUPAC
4-nitrophenol
Dinoseb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H12 N2 O5
Molecular Weight
240.21
Accurate Mass
240.0746
SMILES
CCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3
IUPAC
2-butan-2-yl-4,6-dinitrophenol
Pentachlorophenol
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C6 H Cl5 O
Molecular Weight
266.34
Accurate Mass
263.847
SMILES
Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
IUPAC
2,3,4,5,6-pentachlorophenol
Phenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H6 O
Molecular Weight
94.11
Accurate Mass
94.0419
SMILES
Oc1ccccc1
InChI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
IUPAC
phenol
Storage Temperature
-18°C
Shipping Temperature
+20°C
Product Format
Mixture
Solvent
Hexane
