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94141

Supelco

4-Chloro-α-cyanocinnamic acid

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

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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
Beilstein/REAXYS Number:
2616773
MDL number:
MFCD02317172
UNSPSC Code:
12000000
PubChem Substance ID:
329770304
NACRES:
NA.21

grade

matrix substance for MALDI-MS

Quality Level

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

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

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Application

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

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pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

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