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Sigma-Aldrich

2-Fluoro-5-(trifluoromethyl)phenyl isocyanate

97%

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About This Item

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

Quality Level

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.)

SMILES string

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

InChI

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

InChI key

NAIKHCBDZGSGHH-UHFFFAOYSA-N

General description

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

Application

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

Pictograms

Health hazardExclamation mark

Signal Word

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 Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

159.8 °F - closed cup

Flash Point(C)

71 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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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