4-Methoxybenzyl isothiocyanate
CAS Registry Number®
3694-57-3
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CAS Name
4-Methoxybenzyl isothiocyanateMolecular Formula
C9H9NOSMolecular Mass
179.24Cite this Page
4-Methoxybenzyl isothiocyanate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3694-57-3 (retrieved ) (CAS RN: 3694-57-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
133 °C @ Press: 0.7 Torr
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C9H9NOS/c1-11-9-4-2-8(3-5-9)6-10-7-12/h2-5H,6H2,1H3
InChIKey
InChIKey=IMFQYAJJXFXVMM-UHFFFAOYSA-N
SMILES
C(N=C=S)C1=CC=C(OC)C=C1
Canonical SMILES
S=C=NCC1=CC=C(OC)C=C1
Other Names for this Substance
- Benzene, 1-(isothiocyanatomethyl)-4-methoxy-
- Isothiocyanic acid, p-methoxybenzyl ester
- 1-(Isothiocyanatomethyl)-4-methoxybenzene
- p-Methoxybenzyl isothiocyanate
- 4-Methoxybenzyl isothiocyanate
Deleted or Replaced CAS Registry Numbers
2484718-24-1
