185353

Phenyl isocyanate

≥98%

• Synonym(s): Isocyanatobenzene, PhNCO
• 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: 12352100
• eCl@ss: 39031801
• PubChem Substance ID: 24850685
• NACRES: NA.22

Properties

• vapor pressure: 1.4 mmHg ( 20 °C)
• assay: ≥98%
• form: liquid
• refractive index: n20/D 1.535 (lit.)
• bp: 162-163 °C (lit.)
• mp: −30 °C (lit.)
• density: 1.096 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• 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 reacts with ethyl alcohol to yield ethyl α,γ-diphenylallophanate and trace of phenyl isocyanate dimer.

Application

Phenyl isocyanate (PhNCO) can undergo addition reaction with primary nitroparaffins in the presence of a tertiary alkyl amine catalyst to form sym-disubstituted urea and furoxane. It can also react with cyclohexadienones to form vicinal diamine-containing heterocycle derivatives.

Phenyl isocyanate was used to prepare chemically modified cellulose paper. It was used in the synthesis of functionalized graphene oxide nanoplatelets.

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