4-Fluorophenyl isocyanate

4-Fluorophenyl isocyanate Basic information
Product Name:4-Fluorophenyl isocyanate
Synonyms:1-fluoro-4-isocyanato-benzen;EINECS 214-799-0;F14335_ALDRICH;NSC82348;SB 01844;ZINC00164841;4-Fluorophenyl isocyate;4-Isocyanatofluorobenzene, 1-Fluoro-4-isocyanatobenzene
CAS:1195-45-5
MF:C7H4FNO
MW:137.11
EINECS:214-799-0
Product Categories:C7;Chemical Synthesis;Fluorinated Building Blocks;Nitrogen Compounds;Organic Building Blocks;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks;Fluorine series;Isocyanates;Phenyls & Phenyl-Het;Phenyl isocyanate&Phenyl isothiocyanate;Phenyls & Phenyl-Het;Nitrogen Compounds;Organic Building Blocks;Organics;Fluorobenzene;Aryl Fluorinated Building Blocks;Building Blocks
Mol File:1195-45-5.mol
4-Fluorophenyl isocyanate Structure
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.)
Fp 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 Reference1195-45-5(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
1-10-19
Hazard Note Toxic/Corrosive/Lachrymatory/Moisture Sensitive
HazardClass 3
PackingGroup III
HS Code 29291090
MSDS Information
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4-Fluorophenyl isocyanate English
SigmaAldrich English
ACROS English
ALFA English
4-Fluorophenyl isocyanate Usage And Synthesis
Chemical PropertiesCLEAR LIGHT YELLOW TO AMBER LIQUID
Uses4-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 MethodsPurify 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-FLUORO-3-METHYLPHENYL ISOCYANATE 98 2-bromo-4-fluoro-1-isocyanatobenzene 4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE 4-FLUORO-3-(TRIFLUOROMETHYL)PHENYL ISOCYANATE 2-BROMO-4,6-DIFLUOROPHENYL ISOCYANATE 2,4,5-Trifluorophenyl isocyanate CHLORO-2-FLUOROPHENYL ISOCYANATE 97 2,3,4-TRIFLUOROPHENYL ISOCYANATE 2-chloro-4-fluoro-1-isocyanatobenzene 3,4-DIFLUOROPHENYL ISOCYANATE 4-FLUORO-2-NITROPHENYL ISOCYANATE 2-METHYL-5-FLUOROPHENYL ISOCYANATE 4-CHLORO-2-FLUOROPHENYL ISOCYANATE PENTAFLUOROPHENYL ISOCYANATE 97 5-FLUORO-2-ISOCYANATOBENZONITRILE 3-CHLORO-2-FLUOROPHENYL ISOCYANATE 1,2,3-TRIFLUORO-5-ISOCYANATOBENZENE 4-FLUORO-3-NITROPHENYL ISOCYANATE

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