3-(Trifluoromethyl)phenyl isocyanate

ALDRICH/159387 - 97%

Synonym: α,α,α-Trifluoro-m-tolyl isocyanate

CAS Number: 329-01-1
Empirical Formula (Hill Notation): C₈H₄F₃NO
Molecular Weight: 187.12
EC Number: 206-341-3
MDL Number: MFCD00002020
Linear Formula: CF₃C₆H₄NCO
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-159387-5G	5 g	$48.40 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
bp	54 °C/11 mmHg (lit.)
density	1.359 g/mL at 25 °C (lit.)
InChI	1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
InChI key	SXJYSIBLFGQAND-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.467 (lit.)
SMILES string	FC(F)(F)c1cccc(c1)N=C=O
storage temp.	2-8°C
vapor pressure	2.44 psi ( 20 °C)

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.
Packaging:	5, 25 g in glass bottle

Symbol	GHS02,GHS05,GHS06,GHS09
Signal word	Danger
Hazard statements	H226 - H302 - H311 - H315 - H317 - H318 - H330 - H335 - H411
Precautionary statements	P210 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
Hazard Codes	T+
Risk Statements	22-26-37/38-42
Safety Statements	23-28-36/37-45
RIDADR	UN 3384 3(6.1) / PGI
WGK Germany	WGK 2
Flash Point(F)	136.4 °F - closed cup
Flash Point(C)	58 °C - closed cup

Purity	97%
bp	54 °C/11 mmHg (lit.)
Density	1.359 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.467 (lit.)
Storage Temp.	2-8°C
UNSPSC	12352100

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