94141

4-Chloro-α-cyanocinnamic acid

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

• Synonym(s): 3-(4-Chlorophenyl)-2-cyano-2-propenoic acid, 3-(4-Chlorophenyl)-2-cyanoacrylic acid, p-Chloro-α-cyanocinnamic acid, p-Chlorobenzylidenecyanoacetic acid, ClCCA, NSC 2479
• Empirical Formula (Hill Notation): C₁₀H₆ClNO₂
• CAS Number: 69727-07-7
• Molecular Weight: 207.61
• UNSPSC Code: 23151817
• NACRES: NA.21
• PubChem Substance ID: 329770304
• MDL number: MFCD02317172
• Beilstein/REAXYS Number: 2616773
• Assay: ≥95.0% (HPLC)
• Form: crystals

Properties

• Quality Segment: 100
• assay: ≥95.0% (HPLC)
• form: crystals
• analyte functional class(es): drugs of abuse, ionic liquids
• analyte chemical class(es): chlorinated lipids, lipids, peptides, phospholipids, phosphopeptides
• technique(s): MALDI-MS: suitable
• solubility: methanol: 100 mg/10 mL, clear, colorless to light yellow
• suitability: suitable for matrix substance for MALDI-MS
• SMILES string: OC(=O)\C(=C\c1ccc(Cl)cc1)C#N
• InChI: 1S/C10H6ClNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+
• InChI key: MXCRRKYUQNHWLJ-VMPITWQZSA-N

Description

Application

• suitable as MALDI-Matrix material
• suitable for collision-induced dissociation MS/MS (CID-MS/MS)

Safety Information

• Pictograms: GHS06
• Signal Word: Danger
• Hazard Codes: H301,H312 + H332
• Precautionary Statements: P261 - P264 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 3 Oral - Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable