78750

Phenyl isocyanate

for HPLC derivatization, LiChropur^™, ≥99.0% (GC)

• Linear Formula: C₆H₅NCO
• CAS Number: 103-71-9
• Molecular Weight: 119.12
• Beilstein/REAXYS Number: 471391
• EC Number: 203-137-6
• MDL number: MFCD00001994
• UNSPSC Code: 12000000
• PubChem Substance ID: 329768177
• NACRES: NA.22

Properties

• grade: for HPLC derivatization
• Quality Level: 100
• vapor pressure: 1.4 mmHg ( 20 °C)
• assay: ≥99.0% (GC)
• form: liquid
• quality: LiChropur^™
• technique(s): HPLC: suitable
• refractive index: n20/D 1.535 (lit.); n20/D 1.536
• bp: 162-163 °C (lit.)
• mp: −30 °C (lit.)
• density: 1.096 g/mL at 25 °C (lit.)
• SMILES string: O=C=Nc1ccccc1
• InChI: 1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H
• InChI key: DGTNSSLYPYDJGL-UHFFFAOYSA-N

Description

General description

Phenyl isocyanate is an aromatic monoisocyanate which is a constituent of diphenyl methane diisocyanate. It is suitable to make aryl ureas with amine at room temperature making it unlikely to detect isocyanate formation using NMR. It reacts with amino acids in alkaline solution and with peptone.

Application

Phenyl isocyanate was used in preparing grapheme-polymer nanocomposites by mixing exfoliated phenyl isocyanate-treated graphite oxide sheets with polystyrene. It was used in studying its reaction of o-hydroxybenzyl alcohol in polar solvents with in situ FT-IR which showed that phenolic hydroxyl group reacts easily than aliphatic hydroxyl group.

Other Notes

Reagent for the determination of alcohols and amines

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Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS02,GHS06,GHS08,GHS05,GHS09
• signalword: Danger
• hcodes: H226,H302,H314,H317,H330,H334,H335,H410
• pcodes: P210 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 1 Inhalation - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Corr. 1C - Skin Sens. 1A - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 123.8 °F - closed cup
• flash_point_c: 51 °C - closed cup
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter