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PHENYL ISOTHIOCYANATE

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PHENYL ISOTHIOCYANATE Basic information

Product Name:
PHENYL ISOTHIOCYANATE
Synonyms:
  • Phenyl isothiocyanate,PITC
  • PHENYL ISOTHIOCYANATE SOLUTION, FOR PROT.SEQ. ANAL.
  • Phenyl isothiocyanate solution,PITC
  • Phenyl isothiocyanat
  • Phenyl isothiocyanate, 98% 100GR
  • Benzene,isothiocyanato-
  • Benzene-1-isothiocyanate
  • Fenylisothiokyanat
CAS:
103-72-0
MF:
C7H5NS
MW:
135.19
EINECS:
203-138-1
Product Categories:
  • Amino Group Labeling Reagents for HPLC
  • Analytical Chemistry
  • Organics
  • API intermediates
  • HPLC Labeling Reagents
  • UV Detection (HPLC Labeling Reagents)
  • Building Blocks
  • Chemical Synthesis
  • Organic Building Blocks
  • Sulfur Compounds
  • Thiocyanates/Isothiocyanates
Mol File:
103-72-0.mol
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PHENYL ISOTHIOCYANATE Chemical Properties

Melting point:
−21 °C(lit.)
Boiling point:
218 °C(lit.)
Density 
1.132 g/mL at 20 °C(lit.)
vapor pressure 
10 hPa (20 °C)
refractive index 
n20/D 1.6515(lit.)
Flash point:
190 °F
storage temp. 
2-8°C
solubility 
water: insoluble
form 
liquid
color 
Clear pale yellow to yellow
Specific Gravity
1.137 (20/4℃)
Water Solubility 
Soluble in alcohol, and ether. Insoluble in water.
Sensitive 
Moisture Sensitive
Merck 
14,7297
BRN 
471392
Stability:
Stable. Combustible. Incompatible with strong oxidizing agents, strong acids.
InChIKey
QKFJKGMPGYROCL-UHFFFAOYSA-N
CAS DataBase Reference
103-72-0(CAS DataBase Reference)
NIST Chemistry Reference
Benzene, isothiocyanato-(103-72-0)
EPA Substance Registry System
Benzene, isothiocyanato- (103-72-0)
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Safety Information

Hazard Codes 
T,N,Xn,F
Risk Statements 
25-34-42/43-51/53-67-65-50/53-36/37/38-22-11-38-63-23/24/25-36/38
Safety Statements 
9-16-29-33-60-61-62-36-26-23-45-36/37/39-38-28A-36/37
RIDADR 
UN 1993 3/PG 2
WGK Germany 
3
RTECS 
NX9275000
19
TSCA 
Yes
HS Code 
2930 90 98
HazardClass 
6.1
PackingGroup 
II
Toxicity
LD50 orally in Rabbit: 157 mg/kg

MSDS

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PHENYL ISOTHIOCYANATE Usage And Synthesis

Chemical Properties

colourless to pale yellow liquid with a penetrating odour

Uses

As Derivatizing reagent for primary and secondary amines, Phenyl isothiocyanate can be used in sequencing peptides by Edman degradation and in amino acid analyses by HPLC.

Uses

Derivatizing agent for primary, secondary amines. In sequencing of peptides by Edman degradation. In amino acid analyses by HPLC (Pico-Tag).

Definition

ChEBI: An isothiocyanate having a phenyl group attached to the nitrogen.

Synthesis Reference(s)

Organic Syntheses, Coll. Vol. 1, p. 447, 1941
Synthesis, p. 300, 1989
Tetrahedron Letters, 38, p. 1597, 1997 DOI: 10.1016/S0040-4039(97)00121-4

Purification Methods

It is insoluble in H2O, but soluble in Et2O and EtOH. If impure (due to formation of thiourea), then steam distil it into a receiver containing 5-10mL of N H2SO4. Separate the oil, dry over CaCl2 and distil it under vacuum. [Dains et al. Org Synth Coll Vol I 447 1941, Beilstein 12 IV 867.]

PHENYL ISOTHIOCYANATE Preparation Products And Raw materials

Raw materials

Preparation Products

PHENYL ISOTHIOCYANATESupplier

Chengdu Ai Keda Chemical Technology Co., Ltd. Gold
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Shanghai Ze Chong Pharmaceutical Technology Co., Ltd. Gold
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