Nitrobenzene Mixture for HJ 648-2013 / HJ 716-2014 100 µg/mL in Toluene:Hexane
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Product Information
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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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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1,2-Dinitrobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 N2 O4
Molecular Weight
168.11
Accurate Mass
168.0171
SMILES
[O-][N+](=O)c1ccccc1[N+](=O)[O-]
InChI
InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H
IUPAC
1,2-dinitrobenzene
1,3-Dinitrobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 N2 O4
Molecular Weight
168.11
Accurate Mass
168.0171
SMILES
[O-][N+](=O)c1cccc(c1)[N+](=O)[O-]
InChI
InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
IUPAC
1,3-dinitrobenzene
1,4-Dinitrobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 N2 O4
Molecular Weight
168.11
Accurate Mass
168.0171
SMILES
[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-]
InChI
InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
IUPAC
1,4-dinitrobenzene
1-Chloro-2,4-dinitrobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H3 Cl N2 O4
Molecular Weight
202.55
Accurate Mass
201.9781
SMILES
[O-][N+](=O)c1ccc(Cl)c(c1)[N+](=O)[O-]
InChI
InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
IUPAC
1-chloro-2,4-dinitrobenzene
1-Chloro-2-nitrobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl N O2
Molecular Weight
157.55
Accurate Mass
156.9931
SMILES
[O-][N+](=O)c1ccccc1Cl
InChI
InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
IUPAC
1-chloro-2-nitrobenzene
1-Chloro-3-nitrobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl N O2
Molecular Weight
157.55
Accurate Mass
156.9931
SMILES
[O-][N+](=O)c1cccc(Cl)c1
InChI
InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
IUPAC
1-chloro-3-nitrobenzene
1-Chloro-4-nitrobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl N O2
Molecular Weight
157.55
Accurate Mass
156.9931
SMILES
[O-][N+](=O)c1ccc(Cl)cc1
InChI
InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
IUPAC
1-chloro-4-nitrobenzene
1-methyl-3-nitrobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H7 N O2
Molecular Weight
137.14
Accurate Mass
137.0477
SMILES
Cc1cccc(c1)[N+](=O)[O-]
InChI
InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
IUPAC
1-methyl-3-nitrobenzene
2,4,6-Trinitrotoluene (TNT)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H5 N3 O6
Molecular Weight
227.13
Accurate Mass
227.0178
SMILES
Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
IUPAC
2-methyl-1,3,5-trinitrobenzene
2,4-Dinitrotoluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H6 N2 O4
Molecular Weight
182.13
Accurate Mass
182.0328
SMILES
Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
IUPAC
1-methyl-2,4-dinitrobenzene
2,6-Dinitrotoluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H6 N2 O4
Molecular Weight
182.13
Accurate Mass
182.0328
SMILES
Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3
IUPAC
2-methyl-1,3-dinitrobenzene
2-Nitrotoluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H7 N O2
Molecular Weight
137.14
Accurate Mass
137.0477
SMILES
Cc1ccccc1[N+](=O)[O-]
InChI
InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
IUPAC
1-methyl-2-nitrobenzene
3,4-Dinitrotoluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H6 N2 O4
Molecular Weight
182.13
Accurate Mass
182.0328
SMILES
Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3
IUPAC
4-methyl-1,2-dinitrobenzene
4-Nitrotoluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H7 N O2
Molecular Weight
137.14
Accurate Mass
137.0477
SMILES
Cc1ccc(cc1)[N+](=O)[O-]
InChI
InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
IUPAC
1-methyl-4-nitrobenzene
Nitrobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H5 N O2
Molecular Weight
123.11
Accurate Mass
123.032
SMILES
[O-][N+](=O)c1ccccc1
InChI
InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
IUPAC
nitrobenzene
Storage & Transport Information
Storage Temperature
-18°C
Shipping Temperature
+20°C
Country of Origin
UNITED STATES
Product Attributes
Product Format
Mixture
Solvent
Hexane:Toluene
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