Barban

CAS Registry Number®

101-27-9

CAS Name

Barban

Molecular Formula

C11H9Cl2NO2

Molecular Mass

258.10

Cite this Page

Barban.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=101-27-9 (retrieved 2024-11-22) (CAS RN: 101-27-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    75-76 °C

  • Density (1)

    1.403 g/cm³ @ Temp: 25 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)

InChIKey

InChIKey=MCOQHIWZJUDQIC-UHFFFAOYSA-N

SMILES

N(C(OCC#CCCl)=O)C1=CC(Cl)=CC=C1

Canonical SMILES

O=C(OCC#CCCl)NC=1C=CC=C(Cl)C1

Other Names for this Substance

  • Carbamic acid, N-(3-chlorophenyl)-, 4-chloro-2-butyn-1-yl ester
  • Carbanilic acid, m-chloro-, 4-chloro-2-butynyl ester
  • Carbamic acid, (3-chlorophenyl)-, 4-chloro-2-butynyl ester
  • S 847
  • Barban

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