Benzoic acid, 4-isothiocyanato-, ethyl ester
CAS Registry Number®
1205-06-7
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CAS Name
Benzoic acid, 4-isothiocyanato-, ethyl esterMolecular Formula
C10H9NO2SMolecular Mass
207.25Cite this Page
Benzoic acid, 4-isothiocyanato-, ethyl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1205-06-7 (retrieved ) (CAS RN: 1205-06-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
123-127 °C @ Press: 0.1 TorrMelting Point (2)
98 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C10H9NO2S/c1-2-13-10(12)8-3-5-9(6-4-8)11-7-14/h3-6H,2H2,1H3
InChIKey
InChIKey=MLOJHUCMCKBDLV-UHFFFAOYSA-N
SMILES
C(OCC)(=O)C1=CC=C(N=C=S)C=C1
Canonical SMILES
O=C(OCC)C1=CC=C(N=C=S)C=C1
Other Names for this Substance
- Benzoic acid, 4-isothiocyanato-, ethyl ester
- Benzoic acid, p-isothiocyanato-, ethyl ester
- 4-Carbethoxyphenyl isothiocyanate
- 4-(Ethoxycarbonyl)phenyl isothiocyanate
- p-Carbethoxyphenyl isothiocyanate
