Benzonitrile,4-(2-oxopropoxy)- supplier

Name
4-(2-OXOPROPOXY)BENZONITRILE
EINECS
CAS No. 18859-28-4
Density 1.14 g/cm³
Solubility
Melting Point
Formula C₁₀H₉NO₂
Boiling Point 328.1 °C at 760mmHg
Molecular Weight 175.187
Flash Point 142.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzonitrile,p-(acetonyloxy)- (8CI);4-(2-Oxopropoxy)benzonitrile;NSC 211911;
PSA 50.09000
LogP 1.52608

Benzonitrile,4-(2-oxopropoxy)- Specification

The Benzonitrile,4-(2-oxopropoxy)- is an organic compound with the molecular formula C₁₀H₉NO₂. Its CAS registry number is 18859-28-4. The IUPAC name of this chemical is called 4-(2-Oxopropoxy)benzonitrile. What's more, the molecular weight of this chemical is 175.18.

Physical properties about Benzonitrile,4-(2-oxopropoxy)- are: (1)ACD/LogP: 0.78; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 50.09 Å²; (7)Index of Refraction: 1.528; (8)Molar Refractivity: 47.06 cm³; (9)Molar Volume: 152.6 cm³; (10)Polarizability: 18.65×10^-24 cm³; (11)Surface Tension: 45.7 dyne/cm; (12)Density: 1.14 g/cm³; (13)Flash Point: 142.8 °C; (14)Enthalpy of Vaporization: 57.04 kJ/mol; (15)Boiling Point: 328.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000194 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccc(OCC(=O)C)cc1
(2) InChI: InChI=1/C10H9NO2/c1-8(12)7-13-10-4-2-9(6-11)3-5-10/h2-5H,7H2,1H3
(3) InChIKey: ZMBPGSPIFXRUCT-UHFFFAOYAN

Product Name

4-(2-OXOPROPOXY)BENZONITRILE

Benzonitrile,4-(2-oxopropoxy)- Specification

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