511781

2,6-Difluorophenyl isothiocyanate

98%

• Linear Formula: F₂C₆H₃NCS
• CAS Number: 207974-17-2
• Molecular Weight: 171.17
• MDL number: MFCD00041047
• UNSPSC Code: 12352100
• PubChem Substance ID: 24873560
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• refractive index: n20/D 1.604 (lit.)
• bp: 217 °C (lit.)
• density: 1.325 g/mL at 25 °C (lit.)
• functional group: fluoro; isothiocyanate
• storage temp.: 2-8°C
• SMILES string: Fc1cccc(F)c1N=C=S
• InChI: 1S/C7H3F2NS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H
• InChI key: DBSXNGIBAKYMSS-UHFFFAOYSA-N

Description

General description

2,6-Difluorophenyl isothiocyanate (1,3-Difluoro-2-isothiocyanatobenzene), an aryl isocyanate, can be prepared from difluoroaniline. 1H-[1,2,4]triazole-3,5-diamine undergoes acylation with 2,6-difluorophenyl isothiocyanate to form the corresponding 1-acyl-1H-[1,2,4]triazole-3,5-diamine.

Safety Information

• pictograms: GHS08,GHS05
• signalword: Danger
• hcodes: H314,H334
• pcodes: P261 - P280 - P284 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Resp. Sens. 1 - Skin Corr. 1B
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 219.2 °F - closed cup
• flash_point_c: 104 °C - closed cup
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter