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Product

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Benzoylacetonitrile

Catalog_Number:

DB-000267

CAS:

614-16-4

Formula:

C9H7NO

Formula_Weight:

145.161g/mol

Purity:

95%
NOTICE: THE PRODUCT IS JUST ONLY FOR LAB RESEARCH, NOT FOR OTHER USE.
IUPAC_Name: 3-oxo-3-phenylpropanenitrile
InChI InChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
InChiKey ZJRCIQAMTAINCB-UHFFFAOYSA-N
Synonyms:

Benzenepropanenitrile, β-oxo-

3-Oxo-3-phenylpropannitril

3-Oxo-3-phénylpropanenitrile

Canonical SMILES: C1=CC=C(C=C1)C(=O)CC#N
Boiling Point: 301.5±0.0 °C at 760 mmHg
Flash Point: 132.9±22.6 °C
Density: 1.1±0.1 g/cm3
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.2±3.0 kJ/mol
Index of Refraction: 1.536
Molar Refractivity: 40.8±0.3 cm3
Experimental Boiling Point: 159-160 deg C / 10 mm (332.1845-333.5491 °C / 760 mmHg)
Experimental Flash Point: 132.9 °C
Apperance: Brown Solid
Safety: 20/21/36/37/39
GHS Classification:
Signal: Warning
GHS Hazard Statements
Aggregated GHS information from 4 notifications provided by 27 companies to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H302 (96.3%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (88.89%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (88.89%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H335 (96.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from all companies. Only Hazard Codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
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