Skip to Content
Merck
All Photos(2)

Key Documents

View All Documentation

374881

Sigma-Aldrich

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

98%

Sign Into View Organizational & Contract Pricing
All Photos(2)

About This Item

Linear Formula:
ClC6H3(CF3)NCO
CAS Number:
327-78-6
Molecular Weight:
221.56
MDL number:
MFCD00013874
UNSPSC Code:
12352100
PubChem Substance ID:
24863347
NACRES:
NA.22

Quality Level

100

Assay

98%

bp

86-90 °C/14 mmHg (lit.)

mp

40-42 °C (lit.)

functional group

chloro
fluoro
isocyanate

SMILES string

FC(F)(F)c1cc(ccc1Cl)N=C=O

InChI

1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H

InChI key

NBJZEUQTGLSUOB-UHFFFAOYSA-N

Related Categories

General description

4-Chloro-3-(trifluoromethyl)phenyl isocyanate participates in an efficient methodology for the synthesis of 5-methyl-3-aryl-2-thiooxazolidin-4-ones.

Application

4-Chloro-3-(trifluoromethyl)phenyl isocyanate may be used in the synthesis of:
  • N-(5′-deoxy-3′-O-tert-butyldimethylsilyl-β-D-thymidin-5′-yl)-N′-(4-chloro-3-trifluoromethylphenyl)-thiourea
  • [1,3-bis(4-chloro-α,α,α-trifluoro-m-tolyl)urea]
  • trans-1-(4-chloro-3-trifluoromethyl-phenyl)-3-(4-hydroxy-cyclohexyl)-urea

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

210.2 °F - closed cup

Flash Point(C)

99 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
00509EJ
03916AE
18011TI
12131AR
09604CY

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Hiromi I Wettersten et al.
Cancer biology & therapy, 14(3), 278-285 (2013-01-10)
p21 is a member of the cyclin kinase inhibitor family of proteins and plays pivotal roles in cellular proliferation as well as in the regulation of apoptosis, and thus has diverse functions in diseases as varied as cancer and atherosclerosis.
Sung Hee Hwang et al.
Bioorganic & medicinal chemistry letters, 23(13), 3732-3737 (2013-06-04)
To reduce the pro-angiogenic effects of sEH inhibition, a structure-activity relationship (SAR) study was performed by incorporating structural features of the anti-angiogenic multi-kinase inhibitor sorafenib into soluble epoxide hydrolase (sEH) inhibitors. The structural modifications of this series of molecules enabled
Extraction and determination of the Mitins sulcofuron and flucofuron from environmental river water.
aM Hancock P.
Analyst, 123(8), 1669-1674 (1998)
A highly efficient methodology for 5-methyl-3-aryl-2-thiooxazolidin-4-ones using lithium perchlorate in DIPEA mediated synthesis.
Khatik GL, et al.
Journal of Heterocyclic Chemistry, 47(3), 734-734 (2010)
Sara Van Poecke et al.
Bioorganic & medicinal chemistry, 19(24), 7603-7611 (2011-11-09)
We report on Mycobacterium tuberculosis thymidine monophosphate kinase (TMPKmt) inhibitory activities of a series of new 3'- and 5'-modified thymidine analogues including α- and β-derivatives. In addition, several analogues were synthesized in which the 4-oxygen was replaced by a more

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service