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Structure

Benzene,2-methyl-1,3,4-trinitro-

CAS
18292-97-2
Catalog Number
ACM18292972
Category
Other Products
Molecular Weight
227.13
Molecular Formula
C7H5N3O6

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Specification

Synonyms
2,3,6-trinitro-toluen;Benzene, 1-methyl-2,3,6-trinitro-;2,3,6-TRINITROTOLUENE;1-METHYL-2,3,6-TRINITROBENZENE
IUPAC Name
2-methyl-1,3,4-trinitrobenzene
Canonical SMILES
CC1=C(C=CC(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI Key
LFCALAUEQXYQIV-UHFFFAOYSA-N
Boiling Point
389.7ºC at 760 mmHg
Flash Point
202.8ºC
Density
1.608 g/cm³
Exact Mass
227.01800
H-Bond Acceptor
6
H-Bond Donor
0
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