Benzoylacetonitrile , >98.0%(GC) , 614-16-4

Synonym(s):
β-Oxohydrocinnamonitrile

CAS NO.：614-16-4

Empirical Formula: C9H7NO

Molecular Weight: 145.16

MDL number: MFCD00001942

EINECS: 210-369-1

PRODUCT Properties

• Melting point: 82-83 °C (lit.)
• Boiling point: 160 °C/10 mmHg (lit.)
• Density: 1.1555 (rough estimate)
• refractive index: 1.4500 (estimate)
• Flash point: 159-160°C/10mm
• storage temp.: Keep in dark place,Sealed in dry,Room Temperature
• solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• form: Solid
• pka: 7.78±0.10(Predicted)
• color: Yellow to Dark Beige
• Water Solubility: slightly soluble
• BRN: 386745
• Exposure limits: NIOSH: IDLH 25 mg/m3
• InChIKey: ZJRCIQAMTAINCB-UHFFFAOYSA-N
• CAS DataBase Reference: 614-16-4(CAS DataBase Reference)
• NIST Chemistry Reference: «alpha»-Cyanoacetophenone(614-16-4)
• EPA Substance Registry System: Benzenepropanenitrile, .beta.-oxo- (614-16-4)

Description and Uses

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.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302+H312+H332-H315-H319-H335
• Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
• Hazard Codes: Xn,Xi
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-36/37/39-22
• RIDADR: 3276
• WGK Germany: 3
• Hazard Note: Harmful/Irritant
• TSCA: Yes
• HazardClass: IRRITANT
• PackingGroup: III
• HS Code: 29269090