2-Benzofurancarboxaldehyde,5-methoxy- supplier

Name
5-Methoxybenzofuran-2-carbaldehyde
EINECS
CAS No. 23145-19-9
Article Data14
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point
Formula C₁₀H₈O₃
Boiling Point 296 °C at 760 mmHg
Molecular Weight 176.172
Flash Point 132.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Methoxybenzofuran-2-carboxaldehyde;5-Methoxybenzo[b]furan-2-carboxaldehyde;5-Methoxy-1-benzofuran-2-carbaldehyde;
PSA 39.44000
LogP 2.25390

2-Benzofurancarboxaldehyde,5-methoxy- Specification

The 2-Benzofurancarboxaldehyde,5-methoxy-, with the CAS registry number 23145-19-9, is also known as 5-Methoxybenzofuran-2-carboxaldehyde. This chemical's molecular formula is C₁₀H₈O₃ and molecular weight is 176.17. What's more, its systematic name is 5-methoxy-1-benzofuran-2-carbaldehyde. Its classification code is Drug / Therapeutic Agent.

Physical properties of 2-Benzofurancarboxaldehyde,5-methoxy- are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 19.74; (6)ACD/BCF (pH 7.4): 19.74; (7)ACD/KOC (pH 5.5): 294.33; (8)ACD/KOC (pH 7.4): 294.33; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.44 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 49.82 cm³; (15)Molar Volume: 142 cm³; (16)Polarizability: 19.75×10^-24cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 132.8 °C; (20)Enthalpy of Vaporization: 53.58 kJ/mol; (21)Boiling Point: 296 °C at 760 mmHg; (22)Vapour Pressure: 0.00147 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC2=C(C=C1)OC(=C2)C=O
(2)InChI: InChI=1S/C10H8O3/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-6H,1H3
(3)InChIKey: OPAYERWEZXLSFC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	600mg/kg (600mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 383, 1977.

Product Name

5-Methoxybenzofuran-2-carbaldehyde

2-Benzofurancarboxaldehyde,5-methoxy- Specification

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