Benzyl isocyanate
CAS Registry Number®
3173-56-6
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CAS Name
Benzyl isocyanateMolecular Formula
C8H7NOMolecular Mass
133.15Cite this Page
Benzyl isocyanate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3173-56-6 (retrieved ) (CAS RN: 3173-56-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
88-91 °C @ Press: 20 TorrMelting Point (2)
87 °CDensity (3)
1.0838 g/cm³ @ Temp: 20 °C
Source(s)
- (1) Hill, Arthur J.; Journal of the American Chemical Society, (1940), 62, 1595-6, CAplus
- (2) Pesquet, Anthony; Synthesis, (2008), (9), 1389-1396, CAplus
- (3) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey
InChIKey=YDNLNVZZTACNJX-UHFFFAOYSA-N
SMILES
C(N=C=O)C1=CC=CC=C1
Canonical SMILES
O=C=NCC=1C=CC=CC1
Other Names for this Substance
- Benzene, (isocyanatomethyl)-
- Isocyanic acid, benzyl ester
- (Isocyanatomethyl)benzene
- α-Isocyanatotoluene
- Benzyl isocyanate
Deleted or Replaced CAS Registry Numbers
1025436-19-4
