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Merck
CN

472190

2-Fluoro-5-(trifluoromethyl)phenyl isocyanate

97%

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About This Item

Linear Formula:
FC6H3(CF3)NCO
CAS Number:
69922-27-6
Molecular Weight:
205.11
NACRES:
NA.22
PubChem Substance ID:
24870787
UNSPSC Code:
12352100
MDL number:
MFCD00673069

Key Documents

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Product Name

2-Fluoro-5-(trifluoromethyl)phenyl isocyanate, 97%

InChI

1S/C8H3F4NO/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H

SMILES string

Fc1ccc(cc1N=C=O)C(F)(F)F

InChI key

NAIKHCBDZGSGHH-UHFFFAOYSA-N

assay

97%

refractive index

n20/D 1.455 (lit.)

bp

53 °C/2.5 mmHg (lit.)

density

1.418 g/mL at 25 °C (lit.)

functional group

fluoro
isocyanate

Quality Level

100

Related Categories

Application

Useful pharmaceutical building block for the preparation of ureas from amines.

General description

2-Fluoro-5-(trifluoromethyl)phenyl isocyanate is a fluorinated building block.

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

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

10 - Combustible liquids

wgk

WGK 3

flash_point_f

159.8 °F - closed cup

flash_point_c

71 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
70697KJV
70697KJ
05602KH
07812AH
06928CE

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Zhiqin Ji et al.
Bioorganic & medicinal chemistry letters, 16(16), 4326-4330 (2006-06-01)
A series of isothiazolopyrimidines and isoxazolopyrimidines were synthesized and identified as potent KDR inhibitors. SAR studies led to isothiazolopyrimidine urea analogs that potently inhibit VEGFR tyrosine kinases (KDR enzymatic and cellular IC(50) values below 10 nM) as well as cKIT

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