CAS Registry Number®
81-15-2
CAS Name
Musk Xylene
Molecular Formula
C12H15N3O6
Molecular Mass
297.26
Compound Properties
-
Boiling Point (1)
392.3 °C
-
Melting Point (2)
110 °C
Source(s)
- (1) Ramirez, Noelia; Journal of Chromatography A, (2010), 1217(26), 4430-4438, CAplus
- (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3
InChIKey
InChIKey=XMWRWTSZNLOZFN-UHFFFAOYSA-N
SMILES
C(C)(C)(C)C1=C(N(=O)=O)C(C)=C(N(=O)=O)C(C)=C1N(=O)=O
Canonical SMILES
O=N(=O)C=1C(=C(C(=C(C1C)N(=O)=O)C(C)(C)C)N(=O)=O)C
Other Names for this Substance
- Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-
- m-Xylene, 5-tert-butyl-2,4,6-trinitro-
- 1-(1,1-Dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene
- 1-tert-Butyl-3,5-dimethyl-2,4,6-trinitrobenzene
- 5-tert-Butyl-2,4,6-trinitro-m-xylene
- Musk xylol
- 2,4,6-Trinitro-5-tert-butyl-m-xylene
- Xylene musk
- 2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene
- Musk Xylene
- 2,4,6-Trinitro-3,5-dimethyl-tert-butylbenzene
- Moschus xylol
- NSC 59844
