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phenyl isothiocyanate

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Origin: China

Cas No: 103-72-0

Specification: 99%min

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Product Description

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CAS No.: 103-72-0 Formula: C7H5NS Molecular Weight: 135.18600

Description

Phenyl isothiocyanate (PITC) is a reagent used in reversed phase HPLC. PITC is less sensitive than o-phthaldehyde (OPA) and cannot be fully automated. PITC can be used for analysing secondary amines, unlike OPA.
It is also known as Edman's reagent and is used in Edman degradation.
Commercially available, this compound may be synthesized by reacting aniline with carbon disulfide and concentrated ammonia to give the ammonium dithiocarbamate salt.

Basic Info

Chemical Name	phenyl isothiocyanate
Synonyms	Phenyl isothiocyanate; Isothiocyanatobenzene; Benzene, isothiocyanato-; Isothiocyanic Acid Phenyl Ester;
CAS No.	103-72-0
Molecular Formula	C7H5NS
Molecular Weight	135.18600
PSA	44.45000
LogP	2.42090

Properties

Appearance & Physical State	colourless to pale yellow liquid with a penetrating odour
Density	1.1288
Boiling Point	221ºC
Melting Point	-21ºC
Flash Point	87ºC
Refractive Index	1.649-1.651
Stability	Stable. Combustible. Incompatible with strong oxidizing agents, strong acids.
Storage Condition	2-8ºC
Vapor Pressure	0.163mmHg at 25°C

Safety Info

RTECS	NX9275000
Hazard Class	6.1
Safety Statements	S23-S26-S28-S38-S36/37/39-S45
HS Code	2930909090
WGK Germany	3
Packing Group	II
RIDADR	UN 1693
Risk Statements	R23/24/25; R34; R42/43; R63
Hazard Codes	T; N
Caution Statement	P261; P280; P301 + P310; P305 + P351 + P338; P310
Signal Word	Danger
Hazard Declaration	H301; H314; H317; H334
Symbol	GHS05, GHS06, GHS08

Synthesis Route

hydrogen chloride+1-naphthalen-1-yl-3-phenylthiourea→1-naphthylamine+phenyl isothiocyanate
benzonitrile oxide+3-cyano-4H-1-benzopyran-4-thione→Chromone-3-Carbonitrile+phenyl isothiocyanate
1-(3-nitro-phenyl)-3-phenyl-thiourea+Acetic anhydride→1-isothiocyanato-3-nitrobenzene+phenyl isothiocyanate

Precursor

thiophosgene
PhNHCSS-*Et3NH+
α-Chlorobenzaldoxime

Downstream Product

3-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
1-[[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]amino]-3-phenylthiourea
1-phenyl-3-tetradecylthiourea
N-phenyl-4H-3,1-benzothiazin-2-amine

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