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Merck

38419

α-Cyano-2,3,4,5,6-pentafluorocinnamic acid

suitable for matrix substance for MALDI-MS, ≥95.0% (HPLC)

Synonym(s):

2-Cyano-3-(2,3,4,5,6-pentafluorophenyl)-2-propenoic acid, PentaFCCA

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About This Item

Empirical Formula (Hill Notation):
C10H2F5NO2
CAS Number:
Molecular Weight:
263.12
PubChem Substance ID:
UNSPSC Code:
41116105
Beilstein/REAXYS Number:
22870656
MDL number:
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Quality Segment

assay

≥95.0% (HPLC)

analyte functional class(es)

drugs of abuse, ionic liquids (quantification)

analyte chemical class(es)

chlorinated lipids, lipids, peptides, phospholipids, phosphopeptides

technique(s)

collision-induced dissociation MS/MS (CID-MS/MS): suitable, matrix-enhanced secondary ion MS (ME-SIMS): suitable

solubility

methanol: 100 mg/10 mL, clear, colorless to light yellow

suitability

suitable for matrix substance for MALDI-MS

SMILES string

OC(/C(C#N)=C/C1=C(F)C(F)=C(F)C(F)=C1F)=O

InChI

1S/C10H2F5NO2/c11-5-4(1-3(2-16)10(17)18)6(12)8(14)9(15)7(5)13/h1H,(H,17,18)/b3-1+

InChI key

LYNQRDIQUFMLTI-HNQUOIGGSA-N



pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - 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



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