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  6. 4-Ethynylbenzonitrile, 97%

4-Ethynylbenzonitrile, 97%

Product Code. 15477748
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Product Code. 15477748 Supplier Thermo Scientific Alfa Aesar Supplier No. H61244.03
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Description

CAS: 3032-92-6 | C9H5N | 127.146 g/mol

4-Ethynylbenzonitrile is used as a synthetic fragment and as a test compound for cross-coupling reactions. It is used in the study of hydrogen bond formation in multifunctional molecules due to the presence of four hydrogen bonding sites. It is also involved in the preparation of 4-[(trimethylsilyl)ethynyl]benzonitrile.

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
4-Ethynylbenzonitrile is used as a synthetic fragment and as a test compound for cross-coupling reactions. It is used in the study of hydrogen bond formation in multifunctional molecules due to the presence of four hydrogen bonding sites. It is also involved in the preparation of 4-[(trimethylsilyl)ethynyl]benzonitrile.

Solubility
Slightly soluble in water.

Notes
Incompatible with strong oxidizing agents, acids and organic materials.
TRUSTED_SUSTAINABILITY

Chemical Identifiers

CAS 3032-92-6
Molecular Formula C9H5N
Molecular Weight (g/mol) 127.146
MDL Number MFCD04974058
InChI Key LAGNMUUUMQJXBF-UHFFFAOYSA-N
Synonym 4-ethynyl-benzonitrile, 4-cyanophenylacetylene, benzonitrile, 4-ethynyl, p-cyanophenylacetylene, 4-ethynyl-bezonitrile, benzonitrile,4-ethynyl, 4-ethynylbenzenecarbonitrile, 4-ethynylbenzonitrile, ksc564s8b, benzonitrile, 4-ethynyl-9ci
PubChem CID 4547245
IUPAC Name 4-ethynylbenzonitrile
SMILES C#CC1=CC=C(C=C1)C#N

Specifications

Melting Point 156°C to 160°C
Color Yellow
Quantity 1 g
UN Number UN3439
Solubility Information Slightly soluble in water.
Formula Weight 127.14
Percent Purity 97%
Physical Form Solid
Chemical Name or Material 4-Ethynylbenzonitrile

Safety and Handling

compliance-icons
Product Identifier
  • 4-Ethynylbenzonitrile
 Signal Word
  • Warning
 Hazard Category
  • Serious eye damage/eye irritation Category 2
  • Skin corrosion/irritation Category 2
  • Specific target organ toxicity Category 3
 Hazard Statement
  • H315-Causes skin irritation.
  • H319-Causes serious eye irritation.
  • H335-May cause respiratory irritation.
 Precautionary Statement
  • P280-Wear protective gloves/protective clothing/eye protection/face protection.
  • P302+P352-IF ON SKIN: Wash with plenty of water/soap.
  • P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
  • P312-Call a POISON CENTER/doctor/if you feel unwell.
  • P332+P313-If skin irritation occurs: Get medical advice/attention.
  • P337+P313-If eye irritation persists: Get medical advice/attention.
 Supplemental information
  • MIXTURE LIST-Contain: 4-Ethynylbenzonitrile

RUO – Research Use Only

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