CAS No.64175-51-5,BENZO[B]FURAN-3-YLACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	64175-51-5
Name:	BENZO[B]FURAN-3-YLACETIC ACID
Article Data:	18

Formula:	C₁₀H₈O₃
Molecular Weight:	176.172
Synonyms:	Benzofuran-3-ylaceticacid;
Density:	1.317 g/cm³
Melting Point:	90 °C
Boiling Point:	331.086 °C at 760 mmHg
Flash Point:	154.036 °C
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	22-26-36/37/39
PSA:	50.44000
LogP:	2.05990

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Specification

The 3-Benzofuranaceticacid, with the CAS registry number 64175-51-5, is also known as Benzo[b]furan-3-ylacetic acid 97%. It belongs to the product category of Furan & Benzofuran. This chemical's molecular formula is C₁₀H₈O₃ and molecular weight is 176.17. Its IUPAC name is called 2-(1-benzofuran-3-yl)acetic acid. This chemical is white to light yellow crystal powder.

Physical properties of 3-Benzofuranaceticacid: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.205; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.372; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.628; (12)Molar Refractivity: 47.509 cm³; (13)Molar Volume: 133.787 cm³; (14)Surface Tension: 54.482 dyne/cm; (15)Density: 1.317 g/cm³; (16)Flash Point: 154.036 °C; (17)Enthalpy of Vaporization: 60.56 kJ/mol; (18)Boiling Point: 331.086 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. In addition, it is irritating to eyes, respiratory system and skin. You should not breathe its dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=CO2)CC(=O)O
(2)InChI: InChI=1S/C10H8O3/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)
(3)InChIKey: QWMVFCMIUUHJDH-UHFFFAOYSA-N