2,1,3-Benzoxadiazole-5-carbonitrile supplier

Name
2,1,3-Benzoxadiazole-5-carbonitrile
EINECS
CAS No. 54286-62-3
Article Data4
CAS DataBase
Density 1.41 g/cm³
Solubility
Melting Point 86 °C
Formula C₇H₃N₃O
Boiling Point 288.2 °C at 760 mmHg
Molecular Weight 145.12
Flash Point 128.1 °C
Transport Information
Appearance
Safety
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Benzofurazancarbonitrile;5-Cyanobenzofurazan;
PSA 62.71000
LogP 1.09448

2,1,3-Benzoxadiazole-5-carbonitrile Specification

The 2,1,3-Benzoxadiazole-5-carbonitrile, with the CAS registry number 54286-62-3, is also known as Benzofurazan-5-carbonitrile 98%. This chemical's molecular formula is C₇H₃N₃O and molecular weight is 145.12. Its systematic name is called 2,1,3-benzoxadiazole-5-carbonitrile. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.

Physical properties of 2,1,3-Benzoxadiazole-5-carbonitrile: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.23; (6)ACD/BCF (pH 7.4): 4.23; (7)ACD/KOC (pH 5.5): 97.7; (8)ACD/KOC (pH 7.4): 97.7; (9)#H bond acceptors: 4; (10)Index of Refraction: 1.641; (11)Molar Refractivity: 36.95 cm³; (12)Molar Volume: 102.3 cm³; (13)Surface Tension: 78.1 dyne/cm; (14)Density: 1.41 g/cm³; (15)Flash Point: 128.1 °C; (16)Enthalpy of Vaporization: 52.74 kJ/mol; (17)Boiling Point: 288.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00238 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc2nonc2c1
(2)InChI: InChI=1/C7H3N3O/c8-4-5-1-2-6-7(3-5)10-11-9-6/h1-3H
(3)InChIKey: KTYXSXUKPAXKOW-UHFFFAOYAA

Product Name

2,1,3-Benzoxadiazole-5-carbonitrile

2,1,3-Benzoxadiazole-5-carbonitrile Specification

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