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4-Cyanobenzoyl chloride, 98%

Product Code. 11495757
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Product Code. 11495757 Supplier Thermo Scientific Alfa Aesar Supplier No. B24333.06
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CAS: 6068-72-0 | C8H4ClNO | 165.58 g/mol

It is a reactant for organocatalytic tandem three component reactions of aldehyde, alkyl vinyl ketone, and amide. It is also employed as a reactant for synthesis of selective angiotensin II AT2 receptor agonists with reduced CYP 450 inhibition, allosteric glucokinase activators, hydantoin derivatives with antiproliferative activity, thiohydantoins and P2X7 receptor antagonists.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
It is a reactant for organocatalytic tandem three component reactions of aldehyde, alkyl vinyl ketone, and amide. It is also employed as a reactant for synthesis of selective angiotensin II AT2 receptor agonists with reduced CYP 450 inhibition, allosteric glucokinase activators, hydantoin derivatives with antiproliferative activity, thiohydantoins and P2X7 receptor antagonists.

Solubility
Reacts with water.

Notes
Store under dry inert gas. Keep away from moisture, oxidizing agents, acids, bases, active metals, amines and alcohols.
TRUSTED_SUSTAINABILITY

Chemical Identifiers

CAS 6068-72-0
Molecular Formula C8H4ClNO
Molecular Weight (g/mol) 165.58
MDL Number MFCD00001822
InChI Key USEDMAWWQDFMFY-UHFFFAOYSA-N
Synonym 4-cyanobenzoylchloride, 4-cyano-benzoyl chloride, p-cyanobenzoyl chloride, unii-2577fde7a8, benzoyl chloride, 4-cyano, 4cyanobenzoyl chloride, 4-cyano-benzoylchloride, 4-cyanobenzoyl-chloride, 4-cyanpbenzoyl chloride, 4-cyano benzoylchloride
PubChem CID 80172
IUPAC Name 4-cyanobenzoyl chloride
SMILES ClC(=O)C1=CC=C(C=C1)C#N

Specifications

Melting Point 68°C to 70°C
Odor Irritating
Quantity 5 g
UN Number UN3261
Beilstein 386729
Sensitivity Moisture sensitive
Solubility Information Reacts with water.
Formula Weight 165.58
Percent Purity 98%
Chemical Name or Material 4-Cyanobenzoyl chloride

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