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Benzoylacetonitrile, 98+%

Product Code. 11471798
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25 g
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Product Code. 11471798

Brand: Thermo Scientific Alfa Aesar A14473.06

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CAS: 614-16-4 | C9H7NO | 145.16 g/mol

Benzoylacetonitrile is used to produce 2-benzoyl-3-furan-2-yl-acrylonitrile. It is also used in the synthesis of substituted naphtho[1,8-bc]pyrans and as building block in the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics. It is an active methylene compound, useful in heterocyclic synthesis, e.g. polyfunctional pyridines and pyrimidines.

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
Benzoylacetonitrile is used to produce 2-benzoyl-3-furan-2-yl-acrylonitrile. It is also used in the synthesis of substituted naphtho[1,8-bc]pyrans and as building block in the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics. It is an active methylene compound, useful in heterocyclic synthesis, e.g. polyfunctional pyridines and pyrimidines.

Solubility
Slightly soluble in water.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
TRUSTED_SUSTAINABILITY

Chemical Identifiers

CAS 614-16-4
Molecular Formula C9H7NO
Molecular Weight (g/mol) 145.16
MDL Number MFCD00001942
InChI Key ZJRCIQAMTAINCB-UHFFFAOYSA-N
Synonym benzoylacetonitrile, 2-cyanoacetophenone, phenacyl cyanide, 3-oxo-3-phenyl-propionitrile, cyanomethyl phenyl ketone, acetonitrile, benzoyl, cyanoacetophenone, 3-phenyl-3-ketopropionitrile, benzenepropanenitrile, beta-oxo, benzoyl acetonitrile
PubChem CID 64799
ChEBI CHEBI:51855
IUPAC Name 3-oxo-3-phenylpropanenitrile
SMILES O=C(CC#N)C1=CC=CC=C1

Specifications

Melting Point 79°C to 83°C
Boiling Point 159°C to 160°C (10 mmHg)
Quantity 5 g
Beilstein 386745
Solubility Information Slightly soluble in water.
Formula Weight 145.16
Percent Purity ≥98%
Chemical Name or Material Benzoylacetonitrile
compliance-icons
Product Identifier
  • Benzoylacetonitrile
Signal Word
  • Warning
Hazard Category
  • Acute toxicity Category 4
  • Serious eye damage/eye irritation Category 2
  • Skin corrosion/irritation Category 2
  • Specific target organ toxicity Category 3
Hazard Statement
  • H302-Harmful if swallowed.
  • H312-Harmful in contact with skin.
  • H315-Causes skin irritation.
  • H319-Causes serious eye irritation.
  • H332-Harmful if inhaled.
  • H335-May cause respiratory irritation.
Precautionary Statement
  • P280-Wear protective gloves/protective clothing/eye protection/face protection.
  • P301+P330+P331-IF SWALLOWED: rinse mouth. Do NOT induce vomiting.
  • 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-Contains : Benzoylacetonitrile

RUO – Research Use Only

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