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Substance Name: 2,4-Dinitro-6-tert-butylphenyl methanesulfonate
RN: 29110-68-7
InChIKey: XKKQXGQLSJXQOS-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide
  • Reproductive Effect
  • Tumor Data

Molecular Formula

  • C11-H14-N2-O7-S

Molecular Weight

  • 318.3046
 
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Names and Synonyms

Name of Substance

  • 2,4-Dinitro-6-tert-butylphenyl methanesulfonate

Synonyms

  • 2,4-Dinitro-6-tert-butylphenyl methanesulfonate
  • BRN 2306484
  • CCRIS 7079
  • HE 166
  • Phenol, 2-(1,1-dimethylethyl)-4,6-dinitro-, methanesulfonate (ester)
  • Preparation HE 166

Systematic Names

  • 2,4-Dinitro-6-tert-butylphenyl methanesulfonate
  • Phenol, 2-tert-butyl-4,6-dinitro-, methanesulfonate (ester)

Registry Numbers

CAS Registry Number

  • 29110-68-7

Other Registry Number

  • 72497-33-7

System Generated Number

  • 0029110687

Structure Descriptors

InChI

1S/C11H14N2O7S/c1-11(2,3)8-5-7(12(14)15)6-9(13(16)17)10(8)20-21(4,18)19/h5-6H,1-4H3

InChIKey

XKKQXGQLSJXQOS-UHFFFAOYSA-N

Smiles

CC(C)(C)c1cc(cc(c1OS(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]