Benzonitrile,2-(acetyloxy)- supplier

Name
2-ACETOXYBENZONITRILE
EINECS 227-210-7
CAS No. 5715-02-6
Article Data9
CAS DataBase
Density 1.18g/cm³
Solubility
Melting Point 252-254 °C
Formula C₉H₇NO₂
Boiling Point 288.4 °C at 760 mmHg
Molecular Weight 161.16
Flash Point 132 °C
Transport Information
Appearance clear colourless to slightly yellow liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Salicylonitrile,acetate (6CI,7CI,8CI);2-Acetoxybenzonitrile;2-Cyanophenyl acetate;Acetylsalicylonitrile;o-Acetoxybenzonitrile;
PSA 50.09000
LogP 1.48358

Benzonitrile,2-(acetyloxy)- Specification

The Benzonitrile,2-(acetyloxy)-, with CAS registry number 5715-02-6, belongs to the following product category: Aromatic Nitriles. It has the systematic name of 2-cyanophenyl acetate. This chemical is a kind of clear colourless to slightly yellow liquid. And the chemical formula of this chemical is C₉H₇NO₂. What's more, its EINECS is 227-210-7.

Physical properties of Benzonitrile,2-(acetyloxy)-: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 6.04; (6)ACD/BCF (pH 7.4): 6.04; (7)ACD/KOC (pH 5.5): 126.04; (8)ACD/KOC (pH 7.4): 126.04; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.09 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 42.43 cm³; (15)Molar Volume: 136.2 cm³; (16)Polarizability: 16.82×10^-24cm³; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 132 °C; (20)Enthalpy of Vaporization: 52.76 kJ/mol; (21)Boiling Point: 288.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00234 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccccc1C#N)C
(2)InChI: InChI=1/C9H7NO2/c1-7(11)12-9-5-3-2-4-8(9)6-10/h2-5H,1H3
(3)InChIKey: XXLKCUTUGWSJJO-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H7NO2/c1-7(11)12-9-5-3-2-4-8(9)6-10/h2-5H,1H3
(5)Std. InChIKey: XXLKCUTUGWSJJO-UHFFFAOYSA-N

Product Name

2-ACETOXYBENZONITRILE

Benzonitrile,2-(acetyloxy)- Specification

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