2-Benzofurancarbonitrile supplier

Name
2-CYANOBENZOFURAN
EINECS
CAS No. 41717-32-2
Article Data2
CAS DataBase
Density 1.228 g/cm³
Solubility
Melting Point
Formula C₉H₅NO
Boiling Point 260.846 °C at 760 mmHg
Molecular Weight 143.145
Flash Point 111.556 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Cyanobenzofuran;Coumarilonitrile;
PSA 36.93000
LogP 2.30448

2-Benzofurancarbonitrile Specification

The 2-Benzofurancarbonitrile, with the CAS registry number 41717-32-2, is also known as 2-Cyanobenzofuran. This chemical's molecular formula is C₉H₅NO and molecular weight is 143.037114. Its IUPAC name is called 1-benzofuran-2-carbonitrile. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of 2-Benzofurancarbonitrile: (1)ACD/LogP: 1.84; (2)ACD/LogD (pH 5.5): 1.835; (3)ACD/LogD (pH 7.4): 1.835; (4)ACD/BCF (pH 5.5): 14.601; (5)ACD/BCF (pH 7.4): 14.601; (6)ACD/KOC (pH 5.5): 237.189; (7)ACD/KOC (pH 7.4): 237.189; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.628; (10)Molar Refractivity: 41.36 cm³; (11)Molar Volume: 116.565 cm³; (12)Surface Tension: 52.091 dyne/cm; (13)Density: 1.228 g/cm³; (14)Flash Point: 111.556 °C; (15)Enthalpy of Vaporization: 49.855 kJ/mol; (16)Boiling Point: 260.846 °C at 760 mmHg; (17)Vapour Pressure: 0.012 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=C(O2)C#N
(2)InChI: InChI=1S/C9H5NO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H
(3)InChIKey: ZQGAXHXHVKVERC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	350mg/kg (350mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 383, 1977.

Product Name

2-CYANOBENZOFURAN

2-Benzofurancarbonitrile Specification

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