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Sigma-Aldrich

4-Chlor-3-(trifluormethyl)phenylisocyanat

98%

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About This Item

Lineare Formel:
ClC6H3(CF3)NCO
CAS-Nummer:
327-78-6
Molekulargewicht:
221.56
MDL-Nummer:
MFCD00013874
UNSPSC-Code:
12352100
PubChem Substanz-ID:
24863347
NACRES:
NA.22

Assay

98%

bp

86-90 °C/14 mmHg (lit.)

mp (Schmelzpunkt)

40-42 °C (lit.)

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

InChIKey

NBJZEUQTGLSUOB-UHFFFAOYSA-N

Verwandte Kategorien

Allgemeine Beschreibung

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

Anwendung

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

Signalwort

Danger

Gefahreneinstufungen

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

Zielorgane

Respiratory system

Lagerklassenschlüssel

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

WGK

WGK 3

Flammpunkt (°F)

210.2 °F - closed cup

Flammpunkt (°C)

99 °C - closed cup

Persönliche Schutzausrüstung

dust mask type N95 (US), Eyeshields, Gloves

Analysenzertifikate (COA)

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Hiromi I Wettersten et al.
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Sung Hee Hwang et al.
Bioorganic & medicinal chemistry letters, 23(13), 3732-3737 (2013-06-04)
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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

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