159387

3-(Trifluoromethyl)phenyl isocyanate

97%

• Synonym(s): α,α,α-Trifluoro-m-tolyl isocyanate
• Linear Formula: CF₃C₆H₄NCO
• CAS Number: 329-01-1
• Molecular Weight: 187.12
• Beilstein/REAXYS Number: 744880
• EC Number: 206-341-3
• MDL number: MFCD00002020
• UNSPSC Code: 12352100
• PubChem Substance ID: 24849812
• NACRES: NA.22

Properties

• vapor pressure: 2.44 psi ( 20 °C)
• assay: 97%
• refractive index: n20/D 1.467 (lit.)
• bp: 54 °C/11 mmHg (lit.)
• density: 1.359 g/mL at 25 °C (lit.)
• functional group: fluoro
• storage temp.: 2-8°C
• SMILES string: FC(F)(F)c1cccc(c1)N=C=O
• InChI: 1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
• InChI key: SXJYSIBLFGQAND-UHFFFAOYSA-N

Description

Application

3-(Trifluoromethyl)phenyl isocyanate (α,α,α-Trifluoro-m-tolyl isocyanate) was used in the preparation of (S)-3-hydroxymethyl-2-methoxymethoxy-2′-(3-(3-(trifluoromethyl)phenyl)uryl-benzyl)-1,1′-binaphthalene. It was also used in the preparation of cholesteryl trifluoromethylphenyl carbamate.

Safety Information

• pictograms: GHS02,GHS06,GHS05,GHS09
• signalword: Danger
• hcodes: H226,H302,H311,H315,H317,H318,H330,H335,H411
• pcodes: P210 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 1 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2 - Skin Sens. 1A - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 136.4 °F - closed cup
• flash_point_c: 58 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter