Benzonitrile,3-(2-oxiranyl)- supplier

Name
3-(oxiran-2-yl)benzonitrile
EINECS
CAS No. 13906-62-2
Article Data4
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point
Formula C₉H₇NO
Boiling Point 262.3 °C at 760 mmHg
Molecular Weight 145.161
Flash Point 109.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzonitrile,3-oxiranyl- (9CI);
PSA 36.32000
LogP 1.62958

Benzonitrile,3-(2-oxiranyl)- Specification

The Benzonitrile,3-(2-oxiranyl)-, with the CAS registry number of 13906-62-2, is also known as Benzonitrile,3-oxiranyl- (9CI). This chemical's molecular formula is C₉H₇NO and molecular weight is 145.0. What's more, its systematic name is 3-Oxiran-2-ylbenzonitrile.

Physical properties about the Benzonitrile,3-(2-oxiranyl)- are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 3.68; (6)ACD/BCF (pH 7.4): 3.68; (7)ACD/KOC (pH 5.5): 88.39; (8)ACD/KOC (pH 7.4): 88.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.32 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 40.25 cm³; (15)Molar Volume: 120.8 cm³; (16)Surface Tension: 49.2 dyne/cm; (17)Density: 1.2 g/cm³; (18)Flash Point: 109.7 °C; (19)Enthalpy of Vaporization: 50.01 kJ/mol; (20)Boiling Point: 262.3 °C at 760 mmHg; (21)Vapour Pressure: 0.011 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cccc(c1)C2CO2
(2) InChI: InChI=1/C9H7NO/c10-5-7-2-1-3-8(4-7)9-6-11-9/h1-4,9H,6H2
(3) InChIKey: CIERCXRPGAPJGE-UHFFFAOYAZ

Product Name

3-(oxiran-2-yl)benzonitrile

Benzonitrile,3-(2-oxiranyl)- Specification

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