3,5-Bis(trifluoromethyl)phenyl isocyanate

ALDRICH/374857 - 98%

Synonym: 1-Isocyanato-3,5-bis(trifluoromethyl)benzene; 3,5-Di(trifluoromethyl)phenyl isocyanate

CAS Number: 16588-74-2
Empirical Formula (Hill Notation): C₉H₃F₆NO
Molecular Weight: 255.12
MDL Number: MFCD00013559
Linear Formula: (CF₃)₂C₆H₃NCO
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-374857-1G	1 g	$51.30 1/EA	Add To Favorites
45-374857-5G	5 g	$136.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	98%
density	1.476 g/mL at 25 °C (lit.)
form	liquid
functional group	fluoro
	isocyanate
InChI	1S/C9H3F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
InChI key	NRSSOFNMWSJECS-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.43 (lit.)
SMILES string	FC(F)(F)c1cc(cc(c1)C(F)(F)F)N=C=O

Application:

3,5-Bis(trifluoromethyl)phenyl isocyanate may be used in following studies:
• Chemical derivatization of amino-functionalized model surfaces.
• Preparation of arylaminothiocarbonylpyridinium zwitterionic salts, via an exothermic reaction with 4-pyrrolidinopyridine.
• Synthesis of (S)-3-hydroxymethyl-2-methoxymethoxy-2′-(3-(3,5-bis(trifluoromethyl)phenyl)uryl-benzyl)-1,10-binaphthalene.
• Synthesis of 1-[3,5-bis(trifluoromethyl) phenyl]-3-(2-pyridyl)thiourea, via reaction with 2-amino pyridine in MeCN.

Packaging:

1, 5 g in glass bottle

Symbol	GHS07,GHS08
Signal word	Danger
Hazard statements	H302 + H312 + H332 - H315 - H317 - H319 - H334 - H335
Precautionary statements	P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
Hazard Codes	Xn
Risk Statements	20/21/22-36/37/38
Safety Statements	23-26-27-28-36/37/39
RIDADR	UN 2206PSN1B 6.1 / PGIII
WGK Germany	WGK 3
Flash Point(F)	154.4 °F - closed cup
Flash Point(C)	68 °C - closed cup

Purity	98%
Density	1.476 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.43 (lit.)
UNSPSC	12352100

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