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3-Benzofuranaceticacid

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Name

3-Benzofuranaceticacid

EINECS N/A
CAS No. 64175-51-5 Density 1.317 g/cm3
PSA 50.44000 LogP 2.05990
Solubility N/A Melting Point 90 °C
Formula C10H8O3 Boiling Point 331.086 °C at 760 mmHg
Molecular Weight 176.172 Flash Point 154.036 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 22-26-36/37/39 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 64175-51-5 (BENZO[B]FURAN-3-YLACETIC ACID) Hazard Symbols HarmfulXn
Synonyms

Benzofuran-3-ylaceticacid;

Article Data 18

3-Benzofuranaceticacid 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

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