| Identification | More | [Name]
4-Fluorophenyl isocyanate | [CAS]
1195-45-5 | [Synonyms]
1-FLUORO-4-ISOCYANATOBENZENE
4-FLUOROPHENYL ISOCYANATE
AKOS B022528
ISOCYANIC ACID 4-FLUOROPHENYL ESTER
P-FLUOROPHENYL ISOCYANATE
P-FLUORO PHENYL ISOCYANIC ESTER
1-fluoro-4-isocyanato-benzen
4-Fluorophenyl isocyanate, 98+%
4-Fluorophenyl isocyanate 98%
Benzene, 1-fluoro-4-isocyanato-
4-Fluoroisocyanatobenzene
p-Fluorobenzene isocyanate
1-Isocyanato-4-fluorobenzene
Isocyanic acid p-fluorophenyl ester | [EINECS(EC#)]
214-799-0 | [Molecular Formula]
C7H4FNO | [MDL Number]
MFCD00002023 | [Molecular Weight]
137.11 | [MOL File]
1195-45-5.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR LIGHT YELLOW TO AMBER LIQUID | [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 Reference]
1195-45-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,T,C,T+ | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36:Irritating to the eyes.
R42:May cause sensitization by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin .
R26:Very Toxic by inhalation. | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment . | [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 |
| Hazard Information | Back Directory | [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 ]. |
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