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4-(Trifluoromethylthio)benzoic acid, 98%|221977|330-17-6

4-(Trifluoromethylthio)benzoic acid, 98%

Cat. No JK221977_5_G
J&K Chemical

Product Information

Product Name
4-(Trifluoromethylthio)benzoic acid, 98%
Brand Name
J&K
Product Number
221977
CAS
330-17-6
Molecular Formula
C8H5F3O2S
Molecular Weight
222.19
Certificate of Analysis (COA)​
COA not found

General Information

PubChem CID
2777858
IUPAC Name
4-(trifluoromethylsulfanyl)benzoic acid
InChI Key
UMOGQQWVQUQTQA-UHFFFAOYSA-N
SMILES
C1=CC(=CC=C1C(=O)O)SC(F)(F)F

Properties

Melting Point
159.5-162.5

Safety Information

GHS Symbols
Hazard Symbol
Signal Word
Warning
Hazard Statement
H315
H319
H335
Precautionary Statement
P280
P321
P261
P271
P319
P405
P501
P302+P352
P332+P317
P362+P364
P264+P265
P305+P351+P338
P337+P317
P304+P340
P403+P233

References Data Source From Pubchem

Preparation of Sulfides
Publication Name: Science of Synthesis
Publication Date: 2018

Comparative Molecular Moment Analysis (CoMMA): 3D-QSAR without Molecular Superposition
Publication Name: Journal of Medicinal Chemistry
Publication Date: 1996-01-01
DOI: 10.1021/jm950589q

QSAR's from similarity matrices. Technique validation and application in the comparison of different similarity evaluation methods
Publication Name: Journal of Medicinal Chemistry
Publication Date: 1993-10-01
DOI: 10.1021/jm00072a012

4-(Trifluoromethylthio)benzoic acid, 98%

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