Phenyl Isothiocyanate
Structural Formula Vector Image
Title: Phenyl Isothiocyanate
CAS Registry Number: 103-72-0
CAS Name: Isothiocyanatobenzene
Additional Names: isothiocyanic acid phenyl ester; phenyl mustard oil; thiocarbanil
Molecular Formula: C7H5NS
Molecular Weight: 135.19
Percent Composition: C 62.19%, H 3.73%, N 10.36%, S 23.72%
Line Formula: C6H5N=C=S
Literature References: Prepd from ammonium phenyldithiocarbamate by the action of lead nitrate: Dains et al., Org. Synth. coll. vol. I (2nd ed., 1941) p 447.
Properties: Liquid. mp -21°. d425 1.1288; d435 1.1202; d450 1.1061. bp760 221°; bp33 117.1°; bp12 95°. Distills with water without dec. nD23.4 1.64918. Insol in water. Sol in alcohol, ether.
Melting point: mp -21°
Boiling point: bp760 221°; bp33 117.1°; bp12 95°
Index of refraction: nD23.4 1.64918
Density: d425 1.1288; d435 1.1202; d450 1.1061
Use: Derivatizing agent for primary, secondary amines. In sequencing of peptides by Edman degradation. In amino acid analyses by HPLC (Pico-Tag).

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