159360

3-Fluorophenyl isocyanate

97%

• Linear Formula: FC₆H₄NCO
• CAS Number: 404-71-7
• Molecular Weight: 137.11
• Beilstein/REAXYS Number: 774879
• EC Number: 206-966-1
• MDL number: MFCD00002015
• UNSPSC Code: 12352100
• PubChem Substance ID: 24849810
• NACRES: NA.22

Properties

• assay: 97%
• form: liquid
• refractive index: n20/D 1.514 (lit.)
• density: 1.201 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: Fc1cccc(c1)N=C=O
• InChI: 1S/C7H4FNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
• InChI key: RIKWVZGZRYDACA-UHFFFAOYSA-N

Description

General description

3-Fluorophenyl isocyanate is an aryl fluorinated building block used in chemical synthesis.

Application

3-Fluorophenyl isocyanate was used in the synthesis of linezolid. It was also used in the preparation of substituted 6-ureidopurines, 6(N²-3-fluorophenyl)ureidopurine.

Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H226,H302 + H312 + H332,H315,H317,H319,H334,H335
• pcodes: P210 - P233 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 107.6 °F - closed cup
• flash_point_c: 42 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter