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Sigma-Aldrich

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

98%

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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

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Certificates of Analysis (COA)

Lot/Batch Number
00509EJ
03916AE
18011TI
09604CY
06210CB

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