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CAS RN: 103-72-0 | Product Number: A5513

Phenyl Isothiocyanate [for HPLC Labeling]

Purity: >99.0%(GC)
  • Isothiocyanic Acid Phenyl Ester
5   ≥20 

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Product Number A5513
Purity / Analysis Method >99.0%(GC)
Molecular Formula / Molecular Weight C__7H__5NS = 135.18  
Physical State (20 deg.C) Liquid
Storage Temperature 0-10°C
Store Under Inert Gas Store under inert gas
Condition to Avoid Moisture Sensitive,Heat Sensitive
Packaging and Container 5ML-Ampule (View image)
CAS RN 103-72-0
Reaxys Registry Number 471392
PubChem Substance ID 87563160
SDBS (AIST Spectral DB) 4809
Merck Index (14) 7297
MDL Number


Appearance Colorless to Light yellow clear liquid
Purity(GC) min. 99.0 %
Effect test of HPLC derivatization Effective as labeling agent for DL-Alanine.
Properties (reference)
Melting Point -21 °C
Boiling Point 71 °C/1 mmHg
Flash point 88 °C
Specific Gravity (20/20) 1.14
Refractive Index 1.65
Solubility (soluble in) Ether,Alcohol
Pictogram Pictogram Pictogram Pictogram
Signal Word Danger
Hazard Statements H301 : Toxic if swallowed.
H314 : Causes severe skin burns and eye damage.
H410 : Very toxic to aquatic life with long lasting effects.
Precautionary Statements P273 : Avoid release to the environment.
P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.
P391 : Collect spillage.
P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water.
P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.
P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor.
P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.
Related Laws:
EC Number 203-138-1
RTECS# NX9275000
Transport Information:
UN Number UN2922
Class 8 / 6.1
Packing Group II
HS Number 2930909899
HPLC Labeling Reagent for Amines

The compound 1 is an HPLC labeling reagent, which has an isothiocyano group, can easily react with an amino group to form the corresponding thiourea. The resultant thiourea can be also derivatized into a phenylthiohydantoin (PTH) derivative under acidic conditions. The PTH is stable enough to reach the detector without any decomposition under reversed phase HPLC. An excellent chromatogram can be obtained by measuring at 269 nm for UV detection.

Application examples:
[Amino acids, Peptides]
1.5 µmol of a sample is dissolved into 1 mL of 60% aqueous pyridine solution containing labeling reagent 1 (15 mg), and incubated at 40 °C for 1 h.After cooling to room temperature, the reaction mixture is diluted with 1 mL of water, and excess amount of 1 is removed by extraction (benzene 2 mL x 4 times). The aqueous layer is evaporated, and dried in desiccator. To the residue, 1.5 mL of mixed solution (3 N HCl and 60% AcOH, 1 : 1) is added to hydrolyzed at 40 °C for 30 min under a nitrogen atmosphere. After cooling to room temperature, the reaction mixture is diluted with 2 mL of water, and extracted with 2 mL of ethyl acetate, next 2 mL of benzene. The organic layers are combined to use it as an HPLC sample.



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