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529141

Sigma-Aldrich

4-(Trifluoromethylthio)benzaldehyde

90%

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Linear Formula:
F3CSC6H4CHO
CAS Number:
4021-50-5
Molecular Weight:
206.18
MDL number:
MFCD00129191
UNSPSC Code:
12352100
PubChem Substance ID:
24877653
NACRES:
NA.22

Quality Level

100

Assay

90%

impurities

~1% 4-(Trifluoromethylthio)benzoic acid
~5% 4-(Trifluoromethylthio)benzonitrile

refractive index

n20/D 1.511 (lit.)

bp

219 °C (lit.)

mp

29-31 °C (lit.)

SMILES string

FC(F)(F)Sc1ccc(C=O)cc1

InChI

1S/C8H5F3OS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H

InChI key

OPAXHVNZGUGCKW-UHFFFAOYSA-N

General description

Enthalpy of vaporization of 4-(trifluoromethylthio)benzaldehyde at boiling point (492.15K) is 43.130kjoule/mol.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H315,H319,H335

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Regulatory Information

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Yaws CL
Thermophysical Properties of Chemicals and Hydrocarbons, 548-548 (2014)

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