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3-(Trifluoromethyl)pyrazole

Name: 3-(Trifluoromethyl)pyrazole
Brand: ALDRICH

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About This Item

Empirical Formula (Hill Notation):

C₄H₃F₃N₂

CAS Number:

20154-03-4

Molecular Weight:

136.08

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24865363

MDL number:

MFCD00115018

Beilstein/REAXYS Number:

1564179

Assay:

99%

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Properties

assay

99%

bp

70 °C/2 mmHg (lit.)

mp

45-47 °C (lit.)

SMILES string

FC(F)(F)c1cc[nH]n1

InChI

1S/C4H3F3N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9)

InChI key

PYXNITNKYBLBMW-UHFFFAOYSA-N

Description

General description

3-(Trifluoromethyl)pyrazoles is a heterocyclic building block. It undergoes alkylation with alkyl iodides in DMF to afford the N-alkyl pyrazoles. It participates in the synthesis of disubstituted pyrimidines.

Application

3-(Trifluoromethyl)pyrazole may be used in copper-catalyzed pyrazole N-arylation. It may be used in the synthesis of sodium hydridotris(1H-3-trifluoromethylpyrazol-1-yl)borate by heating with sodium borohydride.

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

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