2-Fluoro-5-(trifluoromethyl)cinnamic acid

CAS
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CAS
247113-91-3
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Purity
95%+
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Catalog Number

ACM247113913

Product Name

2-Fluoro-5-(trifluoromethyl)cinnamic acid

Structure

CAS

247113-91-3

Category

Heterocyclic Organic Compound

Synonyms

3-(2-Fluoro-5-(trifluoromethyl)phenyl)acrylic acid

IUPAC Name

(E)-3-[2-Fluoro-5-(trifluoromethyl)phenyl]prop-2-enoic acid

Molecular Weight

234.15

Molecular Formula

C₁₀H₆F₄O₂

Canonical SMILES

C1=CC(=C(C=C1C(F)(F)F)C=CC(=O)O)F

InChI

InChI=1S/C10H6F4O2/c11-8-3-2-7(10(12,13)14)5-6(8)1-4-9(15)16/h1-5H,(H,15,16)/b4-1+

InChI Key

AUPRFUNTWIUZEA-DAFODLJHSA-N

Boiling Point

281.6ºC at 760mmHg

Melting Point

118-121 °C

Flash Point

124.1ºC

Density

1.438g/cm³

Exact Mass

234.03039208

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)/C=C/C(=O)O)F

Monoisotopic Mass

234.03039208

Safety Description

26-36

Storage Conditions

2-8 °C

Topological Polar Surface Area

37.3 Å²

MSDS

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COA

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Spec Sheet

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