Methyl 3-nitro-4-thiocyanatobenzoate

CAS Registry Number®

6083-80-3
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CAS Name

Methyl 3-nitro-4-thiocyanatobenzoate

Molecular Formula

C9H6N2O4S

Molecular Mass

238.22

Cite this Page

Methyl 3-nitro-4-thiocyanatobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6083-80-3 (retrieved 2024-07-02) (CAS RN: 6083-80-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    98 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H6N2O4S/c1-15-9(12)6-2-3-8(16-5-10)7(4-6)11(13)14/h2-4H,1H3

InChIKey

InChIKey=NOPZUQWMXRVFBY-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(SC#N)C=CC(C(OC)=O)=C1

Canonical SMILES

N#CSC1=CC=C(C=C1N(=O)=O)C(=O)OC

Other Names for this Substance

  • Benzoic acid, 3-nitro-4-thiocyanato-, methyl ester
  • Methyl 3-nitro-4-thiocyanatobenzoate
  • 3-Nitro-4-thiocyanatobenzoic acid methyl ester