78780
Phenyl isothiocyanate
for HPLC derivatization, the detection of alcohols and amines, ≥99.0%
Synonym(s):
PITC
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About This Item
Linear Formula:
C6H5NCS
CAS Number:
Molecular Weight:
135.19
UNSPSC Code:
12352100
NACRES:
NA.21
PubChem Substance ID:
EC Number:
203-138-1
Beilstein/REAXYS Number:
471392
MDL number:
Assay:
≥99.0%
Form:
liquid
Quality Segment
assay
≥99.0%
form
liquid
quality
for HPLC derivatization, the detection of alcohols and amines
refractive index
n20/D 1.649, n20/D 1.6515 (lit.)
bp
218 °C (lit.)
mp
−21 °C (lit.)
solubility
water: insoluble
density
1.13 g/mL at 20 °C, 1.132 g/mL at 20 °C (lit.)
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 is an aromatic isothiocyanate. It participates in dehydration reactions of alcohols. It is widely used for synthesis of various biologically important heterocyclic compounds.
Application
Derivatizing reagent for primary and secondary amines. Used in sequencing peptides by Edman degradation and in amino acid analyses by HPLC.
Phenyl isothiocyanate may be employed as a derivatization reagent for high-performance liquid chromatographic (HPLC) analysis of various amphetamine derivatives in body fluids.
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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
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