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Phenylisothiocyanate
SpectraBase Compound ID G3PhJzMRLGe
InChI InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChIKey QKFJKGMPGYROCL-UHFFFAOYSA-N
Mol Weight 135.18 g/mol
Molecular Formula C7H5NS
Exact Mass 135.01427 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 72eEWBCPtAG
Name ISOTHIOCYANIC ACID, PHENYL ESTER
Source of Sample The Matheson Company, Inc., East Rutherford, New Jersey
Boiling Point 89-90C/10mm
CAS Registry Number 103-72-0
Color Properties Color= YELLOW
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Density (25/4C) 1.1288
Formula C7H5NS
InChI InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChIKey QKFJKGMPGYROCL-UHFFFAOYSA-N
Melting Point -21C
Molecular Weight 135.184006
Optical Properties Index of Refraction= (23.4C) 1.64918
RTECS Number NX9275000
Safety Data Risks and Safety Phrases= EMITS TOXIC FUMES WHEN HEATED TO DECOMPOSITION; TOXIC IF INGESTED
Solubility Insoluble in= WATER Soluble in= ALCOHOL; ETHER
Synonyms PHENYL MUSTARD OIL ISOTHIOCYANATOBENZENE PHENYL ISOTHIOCYANATE
Technique CAPILLARY CELL: NEAT
Use USED FOR AUTOMATIC DETERMINATION OF AMINO ACID SEQUENCES; USED IN MEDICINE