| Identification | More | [Name]
Benzoylacetonitrile | [CAS]
614-16-4 | [Synonyms]
2-CYANOACETOPHENONE
3-OXO-3-PHENYLPROPANENITRILE
3-OXO-3-PHENYL-PROPIONITRILE
AKOS 92208
AKOS B029579
AKOS BB-9543
ALPHA-CYANOACETOPHENONE
BENZOYLACETONITRILE
BETA-OXOHYDROCINNAMONITRILE
OMEGA-CYANOACETOPHENONE
PHENACYL CYANIDE
TIMTEC-BB SBB004121
2-Cyanoacetyl phenone
3-Phenyl-3-ketopropionitrile
Acetonitrile, benzoyl-
Acetophenone, 2-cyano-
Benzenepropanenitrile, beta-oxo-
beta-oxo-benzenepropanenitril
Cyanoacetophenone
Cyanomethyl phenyl ketone | [EINECS(EC#)]
210-369-1 | [Molecular Formula]
C9H7NO | [MDL Number]
MFCD00001942 | [Molecular Weight]
145.16 | [MOL File]
614-16-4.mol |
| Chemical Properties | Back Directory | [Appearance]
LIGHT YELLOW TO YELLOW-BROWN CRYSTALLINE POWDER | [Melting point ]
82-83 °C (lit.) | [Boiling point ]
160 °C/10 mmHg (lit.) | [density ]
1.1555 (rough estimate) | [refractive index ]
1.4500 (estimate) | [Fp ]
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 | [Usage]
Used as a building block for the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics | [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]
614-16-4(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust . | [RIDADR ]
3276 | [WGK Germany ]
3
| [Hazard Note ]
Harmful/Irritant | [TSCA ]
Yes | [HazardClass ]
IRRITANT | [PackingGroup ]
III | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Chemical Properties]
LIGHT YELLOW TO YELLOW-BROWN CRYSTALLINE POWDER | [Uses]
Benzoylacetonitrile can be used as a building block for the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics
| [Definition]
ChEBI: Benzoylacetonitrile is a beta-ketonitrile and an aromatic ketone. It is functionally related to a benzoic acid. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 54, p. 4229, 1989 DOI: 10.1021/jo00278a047
Synthesis, p. 308, 1983
Tetrahedron, 49, p. 5091, 1993 DOI: 10.1016/S0040-4020(01)81874-3 |
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