HJ 592-2010 Nitroaromatics Mixture 543 100 µg/mL in Methanol
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- structure.search.product.name HJ 592-2010 Nitroaromatics Mixture 543 100 µg/mL in Methanol
- Product Code: DRE-A50000543ME
- Brand: Dr. Ehrenstorfer
Product Overview
Product Code
DRE-A50000543ME
CAS Number
8 AnalytesProduct Format
Mixture
Solvent
Methanol
Regulatory Method
HJ 592-2010
Product Categories
Hydrocarbon and Petrochemical Reference Materials , GB and HJ Methods, Dr. Ehrenstorfer
Product Type
Native/ParentDocumentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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SMILES
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InChI
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IUPAC
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1,3,5-Trinitrobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H3 N3 O6
Molecular Weight
213.10
Accurate Mass
213.0022
SMILES
[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H
IUPAC
1,3,5-trinitrobenzene
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
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
Product Data
Storage Temperature
-18°C
Shipping Temperature
+20°C
Country of Origin
UNITED STATES
Product Format
Mixture
Solvent
Methanol
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