Benzyl isothiocyanate
CAS Registry Number®
622-78-6
CAS Name
Benzyl isothiocyanateMolecular Formula
C8H7NSMolecular Mass
149.21Cite this Page
Benzyl isothiocyanate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=622-78-6 (retrieved ) (CAS RN: 622-78-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
243 °CMelting Point (2)
41 °CDensity (3)
1.1234 g/cm³ @ Temp: 20 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Kholodov, L. E.; Zhurnal Organicheskoi Khimii, (1965), 1(11), 2063-8, CAplus
- (3) Schmidt, Erich; Justus Liebigs Annalen der Chemie, (1957), 612, 11-22, CAplus
Other Names and Identifiers
InChI
InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey
InChIKey=MDKCFLQDBWCQCV-UHFFFAOYSA-N
SMILES
C(N=C=S)C1=CC=CC=C1
Canonical SMILES
S=C=NCC=1C=CC=CC1
Other Names for this Substance
- Benzene, (isothiocyanatomethyl)-
- Isothiocyanic acid, benzyl ester
- (Isothiocyanatomethyl)benzene
- Benzyl mustard oil
- AB 2
Deleted or Replaced CAS Registry Numbers
2921006-81-5
