4-Fluorophenyl isocyanate Chemical Properties

Boiling point:

55 °C8 mm Hg(lit.)

Density 

1.206 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.5141(lit.)

Flash point:

127 °F

storage temp. 

2-8°C

form 

Liquid

color 

Clear colorless to light yellow

Water Solubility 

Decomposes

Sensitive 

Moisture Sensitive/Lachrymatory

BRN 

471609

CAS DataBase Reference

1195-45-5(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,T,C,T+

Risk Statements 

20/21/22-36-42-36/37/38-26

Safety Statements 

23-26-36/37-45-38-28A

RIDADR 

UN 3080 6.1/PG 2

WGK Germany 

3

F 

1-10-19

Hazard Note 

Toxic/Corrosive/Lachrymatory/Moisture Sensitive

HazardClass 

3

PackingGroup 

III

HS Code 

29291090

MSDS

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4-Fluorophenyl isocyanate Usage And Synthesis

Chemical Properties

CLEAR LIGHT YELLOW TO AMBER LIQUID

Uses

4-Fluorophenyl isocyanate acts as a reagent in the preparation of tris-ureas as transmembrane anion transporters, solid phase combinatorial synthesis of peptides as integrin inhibitors.

Purification Methods

Purify the isocyanate by repeated fractionation through an efficient column. If IR indicates that there is too much urea (in the presence of moisture the symmetrical urea is formed), then dissolve it in dry EtOH-free CHCl3, filter, evaporate and distil it. It is a pungent LACHRYMATORY liquid. [See Hardy J Chem Soc 2011 1934, and Hickinbottom Reactions of Organic Compounds Longmans p493 1957.] 4-Fluorophenyl isothiocyanate [1544-68 -9] M 153.2, m 24 -26o, 26 -27o, b 66o/2mm, 2 1 5o/atm, 228o/760mm, n D 1.6116. A likely impurity is the symmetrical thiourea. Dissolve the isothiocyanate in dry CHCl3, filter and distil the residue in a vacuum. It can also be steam distilled, the oily layer is separated, dried over CaCl2 and distilled in vacuo. Bis-(4-fluorophenyl)thiourea has m 145o (from aqueous EtOH). [Browne & Dyson J Chem Soc 3285 1931, Buu Hoi et al. J Chem Soc 1573 1955, Olander Org Synth Coll Vol I 448 1941 ].

4-Fluorophenyl isocyanate(1195-45-5)Related Product Information

• M-FLUOROPHENYL ISOCYANATE,3-Fluorophenyl isocyanate 97%,3-FLUOROPHENYL ISOCYANATE
• PROPYL ISOTHIOCYANATE
• Benzyl isocyanate
• CYCLOOCTYL ISOCYANATE 97
• 3-Isocyanatopropyltriethoxysilane
• Ethyl isocyanate
• TERT-BUTYL ISOCYANIDE
• Isobutyl isocyanate
• 2-ETHOXYPHENYL ISOCYANATE
• TRIMETHYLSILYL ISOTHIOCYANATE
• Isopropyl isothiocyanate
• Ethyl isocyanoacetate
• 2-METHOXYPHENYL ISOTHIOCYANATE
• 2-Chloroethyl isocyanate
• 4-Methoxyphenyl isocyanate
• 2,4-Difluorophenyl isocyanate
• 4-Fluorophenyl isocyanate
• Phenyl isocyanate