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178926

3-(Trifluoromethyl)cinnamic acid, predominantly trans

Name: 3-(Trifluoromethyl)cinnamic acid, predominantly <I>trans</I>
Brand: ALDRICH

98%

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About This Item

Linear Formula:

CF₃C₆H₄CH=CHCO₂H

CAS Number:

779-89-5

Molecular Weight:

216.16

NACRES:

NA.22

PubChem Substance ID:

24850780

UNSPSC Code:

12352100

EC Number:

212-301-6

MDL number:

MFCD00004393

Assay:

98%

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Properties

assay

98%

mp

135-137 °C (lit.)

functional group

carboxylic acid, fluoro

SMILES string

OC(=O)\C=C\c1cccc(c1)C(F)(F)F

InChI

1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+

InChI key

KSBWHDDGWSYETA-SNAWJCMRSA-N

Description

Application

3-(Trifluoromethyl)cinnamic acid was used in the synthesis of cinacalcet.

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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Practical synthesis of the calcimimetic agent, cinacalcet.

Thiel OR, et al.

Tetrahedron Letters, 49(1), 13-15 (2008)

Global Trade Item Number

SKU	GTIN
178926-10G	04061838754028