Musk Xylene

CAS Registry Number®

81-15-2

CAS Name

Musk Xylene

Molecular Formula

C12H15N3O6

Molecular Mass

297.26

Cite this Page

Musk Xylene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81-15-2 (retrieved 2024-11-21) (CAS RN: 81-15-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    392.3 °C

  • Melting Point (2)

    110 °C

Source(s)

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

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration