272728

Benzoylacetonitrile

99%

• Synonym(s): β-Oxohydrocinnamonitrile
• Linear Formula: C₆H₅COCH₂CN
• CAS Number: 614-16-4
• Molecular Weight: 145.16
• EC Number: 210-369-1
• MDL number: MFCD00001942
• UNSPSC Code: 12352100
• PubChem Substance ID: 24856193
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 99%
• form: solid
• bp: 160 °C/10 mmHg (lit.)
• mp: 82-83 °C (lit.)
• SMILES string: O=C(CC#N)c1ccccc1
• InChI: 1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
• InChI key: ZJRCIQAMTAINCB-UHFFFAOYSA-N

Description

Application

Benzoylacetonitrile was used in the synthesis of substituted naphtho[1,8-bc]pyrans. It was also used as building block in the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332,H315,H319,H335
• pcodes: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves