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Phenyl Isothiocyanate [for HPLC Labeling]
(CAS RN:103-72-0 Product Number:A5513)


Phenyl Isothiocyanate
Synonym Isothiocyanic Acid Phenyl Ester

General Information

Product Number A5513

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Purity/Analysis Method >99.0%(GC)
Storage Temperature 0-10°C
M.F. / M.W. C7H5NS=135.18
CAS RN 103-72-0
Related CAS RN
MDL Number MFCD00004798
Packaging and Container 5mL-Ampule (View image)
  • Product Details
  • Safety & Regulations


Purity(GC) min. 99.0 %
Specific gravity (20/20) 1.1340 to 1.1370
Refractive index n20/D 1.6480 to 1.6530
Effect test of HPLC derivatization Effective as labeling agent for DL-Alanine.

Data of Reference

flp 88°C(lit.)
frp -21°C(lit.)
bp 71°C/1mmHg(lit.)


Beilstein 12(3)908
Reaxys-RN 471392
PubChem SID 87563160
Merck Index(14) 7297
F&F 2,323
RTECS# NX9275000
EC Number 203-138-1


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
  • P260
  • :Do not breathe dusts or mists.
  • P280
  • :Wear protective gloves, protective clothing, face protection.
  • P301+P330+P331+P310
  • :IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. Immediately call a POISON CENTER or doctor.
  • P303+P361+P353+P310+P363
  • :IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower. Immediately call a POISON CENTER or doctor. Wash contaminated clothing before reuse.
  • P304+P340+P310
  • :IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER or 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 or doctor.

Transport Information

UN Number 2922
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 ºC 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 ºC 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.


PubMed Literature

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