2-Benzofurancarboximidamide,N-hydroxy- supplier

Name
2-Benzofurancarboximidamide,N-hydroxy-
EINECS
CAS No. 65695-07-0
Article Data6
CAS DataBase
Density 1.4 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂O₂
Boiling Point 378.1 °C at 760 mmHg
Molecular Weight 176.175
Flash Point 182.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Coumarilamidoxime(6CI);2-Benzofurancarboxamide oxime;N'-Hydroxy-1-benzofuran-2-carboximidamide;BRN 0006957;
PSA 71.75000
LogP 2.22760

2-Benzofurancarboximidamide,N-hydroxy- Specification

The 2-Benzofurancarboximidamide,N-hydroxy-, with the CAS registry number 65695-07-0, is also known as 2-Benzofurancarboxamide oxime. It belongs to the product category of Amidine. This chemical's molecular formula is C₉H₈N₂O₂ and molecular weight is 176.17. What's more, its IUPAC name is N'-hydroxy-1-benzofuran-2-carboximidamide. Its classification code is Drug / Therapeutic Agent.

Physical properties of 2-Benzofurancarboximidamide,N-hydroxy- are: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 9.35; (6)ACD/BCF (pH 7.4): 9.62; (7)ACD/KOC (pH 5.5): 170.69; (8)ACD/KOC (pH 7.4): 175.7; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.97 Å²; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 46.13 cm³; (15)Molar Volume: 125.6 cm³; (16)Polarizability: 18.28×10^-24cm³; (17)Surface Tension: 56.1 dyne/cm; (18)Density: 1.4 g/cm³; (19)Flash Point: 182.5 °C; (20)Enthalpy of Vaporization: 66.03 kJ/mol; (21)Boiling Point: 378.1 °C at 760 mmHg; (22)Vapour Pressure: 2.17E-06 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(=NO)N
(2)Isomeric SMILES: C1=CC=C2C(=C1)C=C(O2)/C(=N\O)/N
(3)InChI: InChI=1S/C9H8N2O2/c10-9(11-12)8-5-6-3-1-2-4-7(6)13-8/h1-5,12H,(H2,10,11)
(4)InChIKey: JOYCUYGTHHIMSZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LD50	intraperitoneal	83mg/kg (83mg/kg)		Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 18, Pg. 254, 1979.

Product Name

2-Benzofurancarboximidamide,N-hydroxy-

2-Benzofurancarboximidamide,N-hydroxy- Specification

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