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About This Item
Linear Formula:
C6H5NCS
CAS Number:
Molecular Weight:
135.19
UNSPSC Code:
12352118
NACRES:
NA.31
PubChem Substance ID:
EC Number:
203-138-1
Beilstein/REAXYS Number:
471392
MDL number:
Assay:
≥99% (GC)
Form:
liquid
grade
Sigma Grade
assay
≥99% (GC)
form
liquid
concentration
8.36 M
refractive index
n20/D 1.6515 (lit.)
bp
218 °C (lit.)
mp
−21 °C (lit.)
density
1.132 g/mL at 20 °C (lit.)
suitability
suitable for solid phase protein sequencing analysis
storage temp.
2-8°C
SMILES string
S=C=Nc1ccccc1
InChI
1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChI key
QKFJKGMPGYROCL-UHFFFAOYSA-N
General description
Phenyl isothiocyanate belongs to the class of aromatic compounds with isothiocyanate groups. It is typically used as a precolumn derivatization agent for the formation of phenylthiocarbamyl amino acids for their subsequent determination using chromatography techniques.
Application
Phenyl isothiocyanate may be used in the polypeptide and protein sequencing at the subpicomole and subnanomole levels, respectively, by applying automated Edman chemistry followed by the analysis using high-performance liquid chromatography (HPLC) technique.
Derivatizing reagent for primary and secondary amines. Used in sequencing peptides by Edman degradation and in amino acid analyses by HPLC.
Packaging
One mL size packaged in flame sealed amber ampules under argon.
Ten mL size packaged in screw cap amber vials under argon.
Ten mL size packaged in screw cap amber vials under argon.
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
190.4 °F - closed cup
flash_point_c
88 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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R F Ebert
Analytical biochemistry, 154(2), 431-435 (1986-05-01)
A method for analysis of phenylthiocarbamyl-amino acids by HPLC is described. Solvent A contains 0.05 M sodium acetate plus triethylamine (2.75 ml/liter) adjusted to pH 6.40 with phosphoric acid. Solvent B consists of 50% solvent A, 40% acetonitrile, and 10%
R L Heinrikson et al.
Analytical biochemistry, 136(1), 65-74 (1984-01-01)
Methods for the quantitative derivatization of amino acids with phenylisothiocyanate and for the separation and quantitation of the resulting phenylthiocarbamyl derivatives by reverse-phase high-performance liquid chromatography are described. Phenylthiocarbamylation of amino acids proceeds smoothly in 5 to 10 min at
Examination of automated polypeptide sequencing using standard phenyl isothiocyanate reagent and subpicomole high-performance liquid chromatographic analysis
Tempst P and Riviere L
Analytical Biochemistry, 183(2), 290-300 (1989)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| P1034-1ML | 04061838174888 |
| P1034-10ML | 04061834353867 |
| P1034-10X1ML | 04061834353874 |