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Structure

3,4,5-Trinitrotoluene

CAS
603-15-6
Catalog Number
ACM603156
Category
Other Products
Molecular Weight
227.13
Molecular Formula
C7H5N3O6

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Specification

Synonyms
3,4,5-TRINITROTOLUENE;3,4,5-trinitro-toluen;Benzene, 5-methyl-1,2,3-trinitro-;1-Methyl-3,4,5-trinitrobenzene;5-Methyl-1,2,3-trinitrobenzene
IUPAC Name
5-methyl-1,2,3-trinitrobenzene
Canonical SMILES
CC1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI Key
MRVQHWLGKAVHRB-UHFFFAOYSA-N
Boiling Point
448.4ºC at 760 mmHg
Flash Point
242.6ºC
Density
1.608g/cm³
Exact Mass
227.01800
H-Bond Acceptor
6
H-Bond Donor
0
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