2-Chloro-5-(1,1-dimethylethyl)-1,3-dinitrobenzene

CAS Registry Number®

2213-81-2

CAS Name

2-Chloro-5-(1,1-dimethylethyl)-1,3-dinitrobenzene

Molecular Formula

C10H11ClN2O4

Molecular Mass

258.66

Cite this Page

2-Chloro-5-(1,1-dimethylethyl)-1,3-dinitrobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2213-81-2 (retrieved 2024-11-22) (CAS RN: 2213-81-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    116-117 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H11ClN2O4/c1-10(2,3)6-4-7(12(14)15)9(11)8(5-6)13(16)17/h4-5H,1-3H3

InChIKey

InChIKey=FRFMLDNFLXIDSH-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(Cl)C(N(=O)=O)=CC(C(C)(C)C)=C1

Canonical SMILES

O=N(=O)C=1C=C(C=C(C1Cl)N(=O)=O)C(C)(C)C

Other Names for this Substance

  • Benzene, 2-chloro-5-(1,1-dimethylethyl)-1,3-dinitro-
  • Benzene, 5-tert-butyl-2-chloro-1,3-dinitro-
  • 2-Chloro-5-(1,1-dimethylethyl)-1,3-dinitrobenzene
  • 2,6-Dinitro-4-tert-butylchlorobenzene
  • 4-tert-Butyl-2,6-dinitrochlorobenzene

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