77081

α-Cyano-4-fluorocinnamic acid

≥95.0% (HPLC)

• Synonym(s): α-Cyano-p-fluorocinnamic acid, 2-Cyano-3-(4-fluorophenyl)-2-propenoic acid, FCCA, NSC 638135
• Empirical Formula (Hill Notation): C₁₀H₆FNO₂
• CAS Number: 118409-66-8
• Molecular Weight: 191.16
• Beilstein: 10339054
• MDL number: MFCD00466853
• UNSPSC Code: 23151816
• PubChem Substance ID: 329767465
• NACRES: NA.21

Properties

• Quality Level: 100
• Assay: ≥95.0% (HPLC)
• form: crystals
• 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=CC=C(F)C=C1)=O
• InChI: 1S/C10H6FNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+
• InChI key: OBZAFMILNGLRAL-VMPITWQZSA-N

Description

Application

suitable as MALDI-Matrix material

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