512079

Pentafluorophenyl isocyanate

97%

• Linear Formula: C₆F₅NCO
• CAS Number: 1591-95-3
• Molecular Weight: 209.07
• EC Number: 216-470-7
• MDL number: MFCD01863699
• UNSPSC Code: 12352100
• PubChem Substance ID: 24873607
• NACRES: NA.22

Properties

• Assay: 97%
• refractive index: n20/D 1.449 (lit.)
• bp: 52 °C/2 mmHg (lit.)
• density: 1.6 g/mL at 25 °C (lit.)
• functional group: fluoro; isocyanate
• storage temp.: 2-8°C
• SMILES string: Fc1c(F)c(F)c(N=C=O)c(F)c1F
• InChI: 1S/C7F5NO/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10
• InChI key: QXLDBWRLZDBVGF-UHFFFAOYSA-N

Description

General description

Pentafluorophenyl isocyanate (PFPI), an aryl isocyanate, is an N-protecting reagent. The photoinduced intermolecular carbamoylation of tertiary ethereal C-H bond of fused bicyclic system using PFPI/benzophenone has been reported. Reacting wood polymers with PFPI can make them resistant to fungal attack by forming a stable carbamate bond.

Application

Pentafluorophenyl isocyanate may be used in the preparation of:

• pentafluorophenyl end-capped poly(ethylene glycol) (PF-PEG-PF)
• 9-O-(pentafluorophenylcarbamoyl)quinine
• 9-O-(tert-butyldimethylsilyl)-10-(pentafluorophenylcarbamoyloxy)-6′-methoxy-11-norcinchonan-9-ol
• substituted 2,6-ethynylpyridine bisphenylurea scaffolds
• novel O-xylyl bridged hexaurea receptor for atmospheric CO₂ uptake

Safety Information

• Pictograms: GHS08,GHS07
• Signal Word: Danger
• Hazard Statements: H302 + H312 + H332,H315,H317,H319,H334,H335
• Precautionary Statements: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): 230.0 °F - closed cup
• Flash Point(C): 110 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves