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470090

3-(Trifluoromethylthio)benzoic acid

Name: 3-(Trifluoromethylthio)benzoic acid
Brand: ALDRICH

97%

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About This Item

Linear Formula:

CF₃SC₆H₄CO₂H

CAS Number:

946-65-6

Molecular Weight:

222.18

UNSPSC Code:

12352100

PubChem Substance ID:

24870636

MDL number:

MFCD00236337

Assay:

97%

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Properties

assay

97%

mp

71-74 °C (lit.)

functional group

carboxylic acid, fluoro, thioether

SMILES string

OC(=O)c1cccc(SC(F)(F)F)c1

InChI

1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)

InChI key

IVGAPIVNQABETQ-UHFFFAOYSA-N

Description

General description

3-(Trifluoromethylthio)benzoic acid has trifluoromethylthio group. This group is useful for the preparation of new dyes, medicinal agents and novel heterocyclic systems.

pictograms

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Trifluoromethylthiocopper. A reagent for the introduction of the trifluoromethylthio group into aromatic nuclei.

Remy DC, et al.

The Journal of Organic Chemistry, 41(9), 1644-1646 (1976)

Global Trade Item Number

SKU	GTIN
470090-250MG	04061831838367
470090-1G	04061825585444