Trace Terrorist Explosives Simulants
Product Code
NIST-2905
CAS Number
3 AnalytesPrice and availability
Product Information
Product Notes
LGC Limited is a Licensed Distributor of NIST Standard Reference Materials®, NIST®, STANDARD REFERENCE MATERIAL®, SRM® and depictions or representations thereof, are trademarks and service marks of the National Institute of Standards and Technology of the Department of Commerce. Please register your SRM purchase on the NIST website at www.nist.gov/srm/registration-and-surveys.
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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1,3,5,7-tetranitro-1,3,5,7-tetrazocane
0.000866 %
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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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1,3,5,7-tetranitro-1,3,5,7-tetrazocane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H8 N8 O8
Molecular Weight
296.16
Accurate Mass
296.0465
SMILES
[O-][N+](=O)N1CN(CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2
IUPAC
1,3,5,7-tetranitro-1,3,5,7-tetrazocane
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
Hexahydro-1,3,5-trinitro-1,3,5-triazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H6 N6 O6
Molecular Weight
222.12
Accurate Mass
222.0349
SMILES
[O-][N+](=O)N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2
IUPAC
1,3,5-trinitro-1,3,5-triazinane
Storage & Transport Information
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
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