Basic information
- Name:
2-Furancarboxylicacid, tetrahydro-
- Superlist Name:
- 2-Tetrahydrofuroic acid
- CAS No.:
16874-33-2
- Molecular Structure:
- Formula:
- C5H8O3
- Molecular Weight:
- 116.12
- Synonyms:
- 2-Furoicacid, tetrahydro- (6CI,7CI,8CI);(R,S)-Tetrahydrofuran-2-carboxylic acid;NSC 521564;Tetrahydro-2-furancarboxylic acid;Tetrahydro-2-furoic acid;
- Density:
- 1.17 g/cm3
- Boiling Point:
- 243.2 °C at 760 mmHg
- Flash Point:
- 113.2 °C
- Solubility:
- soluble in water
- Appearance:
- colorless to light yellow liquid
- Hazard Symbols:
C- Risk Codes:
- 22-34
- Safety Description:
- 26-36/37/39-45-28A Details
- Transport Information:
- UN 3265 8/PG 3
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Specification
The 2-Tetrahydrofuroic acid, with the CAS registry number 16874-33-2, is also known as 2-Furancarboxylic acid, tetrahydro-. It belongs to the product categories of Furan & Benzofuran; Organic Acids; Furans. This chemical's molecular formula is C5H8O3 and molecular weight is 116.12. Its IUPAC name is called oxolane-2-carboxylic acid. What's more, this chemical can be used as intermediates in pharmaceutical synthetic.
Physical properties of 2-Tetrahydrofuroic acid: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.5; (4)ACD/LogD (pH 7.4): -4.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.48; (13)Molar Refractivity: 26.15 cm3; (14)Molar Volume: 92 cm3; (15)Surface Tension: 47.1 dyne/cm; (16)Density: 1.262 g/cm3; (17)Flash Point: 113.2 °C; (18)Enthalpy of Vaporization: 52.88 kJ/mol; (19)Boiling Point: 243.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0107 mmHg at 25°C.
Preparation of 2-Tetrahydrofuroic acid: this chemical can be prepared by furan-2-carboxylic acid. This reaction will need reagent H2 and solvent ethyl acetate. The yield is about 95%.
Uses of 2-Tetrahydrofuroic acid: it can be used to produce tetrahydro-furan-2-carbonyl chloride at temperature of 20 °C. This reaction will need reagents oxalyl dichloride, DMF and solvent CH2Cl2.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. 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. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(OC1)C(=O)O
(2)InChI: InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)
(3)InChIKey: UJJLJRQIPMGXEZ-UHFFFAOYSA-N
