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Safety Information

457043

Sigma-Aldrich

3,5-Bis(trifluoromethyl)hydrocinnamic acid

97%

Synonym(s):

3-[3,5-Bis(trifluoromethyl)phenyl]propionic acid

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About This Item

Linear Formula:
(CF3)2C6H3CH2CH2CO2H
CAS Number:
181772-16-7
Molecular Weight:
286.17
MDL number:
MFCD00674033
UNSPSC Code:
12352100
PubChem Substance ID:
24869274

Assay

97%

form

solid

mp

68-73 °C (lit.)

SMILES string

OC(=O)CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI

1S/C11H8F6O2/c12-10(13,14)7-3-6(1-2-9(18)19)4-8(5-7)11(15,16)17/h3-5H,1-2H2,(H,18,19)

InChI key

LISLXJGPJUAEHU-UHFFFAOYSA-N

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
07228PH
10418LH
U16925
13930MQ
14911EU

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Bioorganic & Medicinal Chemistry Letters, 6, 1585-1585 (1996)
A convenient Synthesis of 3, 5-bis (trifluoromethyl) salicylic Acid.
Sui Z and Macielag MJ.
Synthetic Communications, 27(20), 3581-3590 (1997)

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