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Allyl isothiocyanate
SpectraBase Compound ID IUiNhK0Y8Dy
InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
InChIKey ZOJBYZNEUISWFT-UHFFFAOYSA-N
Mol Weight 99.15 g/mol
Molecular Formula C4H5NS
Exact Mass 99.01427 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6jKjrZBUp1j
Name ISOTHIOCYANIC ACID, ALLYL ESTER
Source of Sample The Matheson Company, Inc., East Rutherford, New Jersey
Boiling Point 150-152C
CAS Registry Number 57-06-7
Color Properties Color= COLORLESS TO PALE YELLOW
Comments REFRACTIVE LIQUID; FOUND IN MUSTARD OIL AND HORSERADISH
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5NS
InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
InChIKey ZOJBYZNEUISWFT-UHFFFAOYSA-N
Melting Point Freezing Point= -80C
Molecular Weight 99.151001
RTECS Number NX8225000
Safety Data Risks and Safety Phrases= TOXIC; MUTAGEN; SENSITIZER; ALLERGEN; MAY CAUSE DERMATITIS, ASTHMA, WATERY EYES AND SNEEZING
Synonyms 3-ISOTHIOCYANATO-1-PROPENE ALLYL ISOTHIOCYANATE ALLYL ISOSULFOCYANATE
Technique CAPILLARY CELL: NEAT
Use TO MAKE FLAVORS AND WAR GAS; FUMIGANT