Products Categories
CAS No.: | 41717-32-2 |
---|---|
Name: | 2-CYANOBENZOFURAN |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H5NO |
Molecular Weight: | 143.145 |
Synonyms: | 2-Cyanobenzofuran;Coumarilonitrile; |
Density: | 1.228 g/cm3 |
Boiling Point: | 260.846 °C at 760 mmHg |
Flash Point: | 111.556 °C |
PSA: | 36.93000 |
LogP: | 2.30448 |
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. |