487309

4-Fluorobenzyl isocyanate

98%

• Linear Formula: FC₆H₄CH₂NCO
• CAS Number: 132740-43-3
• Molecular Weight: 151.14
• MDL number: MFCD00673062
• UNSPSC Code: 12352100
• PubChem Substance ID: 24872261
• NACRES: NA.22

Properties

• assay: 98%
• refractive index: n20/D 1.505 (lit.)
• bp: 211 °C (lit.)
• density: 1.186 g/mL at 25 °C (lit.)
• functional group: amine; fluoro; isocyanate
• storage temp.: −20°C
• SMILES string: Fc1ccc(CN=C=O)cc1
• InChI: 1S/C8H6FNO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
• InChI key: HHSIWJYERNCLKQ-UHFFFAOYSA-N

Description

General description

4-Fluorobenzyl isocyanate, also known as 1-fluoro-4-(isocyanatomethyl)benzene, is an organic building block containing an isocyanate group.

Application

4-Fluorobenzyl isocyanate may be used as a reagent in the synthesis of 3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide and (S)-2-(4-fluorobenzyl)-7-hydroxy-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione.

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: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: 199.4 °F - closed cup
• flash_point_c: 93 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter