38419

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

≥95.0% (HPLC)

• Synonym(s): 2-Cyano-3-(2,3,4,5,6-pentafluorophenyl)-2-propenoic acid, PentaFCCA
• Empirical Formula (Hill Notation): C₁₀H₂F₅NO₂
• CAS Number: 1097814-03-3
• Molecular Weight: 263.12
• Beilstein: 22870656
• MDL number: MFCD11548138
• UNSPSC Code: 41116105
• PubChem Substance ID: 329755684

Properties

• Quality Level: 100
• 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

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302 + H312 + H332,H315,H319,H335
• Precautionary Statements: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• 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 Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable