Nitroaromate-Nitroamine-Mix 4 10 µg/mL in Acetonitrile
Product Code
DRE-LA08330400AL
CAS Number
17 AnalytesProduct Format
Mixture
Solvent
Acetonitrile
Product Categories
Dr. Ehrenstorfer, Phenol and Aromatic Compound Reference Materials
Product Type
Native/ParentShare product
- Product Name: Nitroaromate-Nitroamine-Mix 4 10 µg/mL in Acetonitrile
- Product Code: DRE-LA08330400AL
- Brand: Dr. Ehrenstorfer
Documentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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2-Amino-4-nitrotoluene (2-Methyl-5-nitroaniline)
10.0 µg/mL
2-Amino-6-nitrotoluene (2-Methyl-3-nitroaniline)
10.0 µg/mL
4-Amino-2-nitrotoluene (4-Methyl-3-nitroaniline)
10.0 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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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-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
2,3-Dinitrotoluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H6 N2 O4
Molecular Weight
182.13
Accurate Mass
182.0328
SMILES
Cc1cccc(c1[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3
IUPAC
1-methyl-2,3-dinitrobenzene
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-Amino-4-nitrotoluene (2-Methyl-5-nitroaniline)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H8 N2 O2
Molecular Weight
152.15
Accurate Mass
152.0586
SMILES
Cc1ccc(cc1N)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3
IUPAC
2-methyl-5-nitroaniline
2-Amino-6-nitrotoluene (2-Methyl-3-nitroaniline)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H8 N2 O2
Molecular Weight
152.15
Accurate Mass
152.0586
SMILES
Cc1c(N)cccc1[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3
IUPAC
2-methyl-3-nitroaniline
2-methyl-3,5-dinitroaniline
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H7 N3 O4
Molecular Weight
197.15
Accurate Mass
197.0437
SMILES
Cc1c(N)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H7N3O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,8H2,1H3
IUPAC
2-methyl-3,5-dinitroaniline
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-Amino-2-nitrotoluene (4-Methyl-3-nitroaniline)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H8 N2 O2
Molecular Weight
152.15
Accurate Mass
152.0586
SMILES
Cc1ccc(N)cc1[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3
IUPAC
4-methyl-3-nitroaniline
4-methyl-3,5-dinitroaniline
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H7 N3 O4
Molecular Weight
197.15
Accurate Mass
197.0437
SMILES
Cc1c(cc(N)cc1[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3
IUPAC
4-methyl-3,5-dinitroaniline
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
+20°C
Shipping Temperature
Room Temperature
Country of Origin
GERMANY
Product Format
Mixture
Solvent
Acetonitrile
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