478415

3,4-Difluorophenyl isocyanate

97%

• Linear Formula: F₂C₆H₃NCO
• CAS Number: 42601-04-7
• Molecular Weight: 155.10
• MDL number: MFCD00065711
• UNSPSC Code: 12352100
• PubChem Substance ID: 24871506

Properties

• assay: 97%
• refractive index: n20/D 1.498 (lit.)
• bp: 164 °C (lit.)
• density: 1.326 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: Fc1ccc(cc1F)N=C=O
• InChI: 1S/C7H3F2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
• InChI key: YBWJVFMNWMLZEN-UHFFFAOYSA-N

Description

General description

3,4-Difluorophenyl isocyanate, also known as 1,2-difluoro-4-isocyanatobenzene, is an organic building block containing an isocyanate group.

Application

3,4-Difluorophenyl isocyanate may be used in the preparation of (±)-trans-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)-2,5-dimethylpiperazine-1-carboxamide.

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302 + H312 + H332,H315,H317,H319,H334,H335
• pcodes: 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: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 145.4 °F - closed cup
• flash_point_c: 63 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter