4-Cyanobenzoyl chloride, 98%

Description

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.

Specifications

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

• Melting Point: 68°C to 70°C
• Odor: Irritating
• Quantity: 100 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

Safety and Handling

Hazard Category	H314
Hazard Statement	GHS H Statement H314-H318 Causes severe skin burns and eye damage. Causes serious eye damage.
Precautionary Statement	P260-P264b-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P501c
DOTInformation	Transport Hazard Class: 8; Packing Group: II; Proper Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
EINECSNumber	228-005-5
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only