3-Thienylmethanol (71637-34-8)

The 3-Thienylmethanol with the cas number 71637-34-8 is also called 3-(Hydroxymethyl)thiophene. Both the systematic name and IUPAC name are thiophen-3-ylmethanol. Its EINECS registry number is 275-741-8. The molecular formula is C₅H₆OS. This chemical belongs to the following product categories: (1)Thiophenes; (2)Sulphur Derivatives; (3)Thiophene&Benzothiophene; (4)Alkohols; (5)Heterocyclic Compounds; (6)heterocyclic/Aliphatic series; (7)Thiophens; (8)Functional Materials; (9)Reagents for Conducting Polymer Research; (10)Thiophene Derivatives (for Conduting Polymer Research); (11)Thiophen; (12)Building Blocks; (13)Heterocyclic Building Blocks.

The properties of the chemical are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.05; (6)ACD/BCF (pH 7.4): 2.05; (7)ACD/KOC (pH 5.5): 58.16; (8)ACD/KOC (pH 7.4): 58.16; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.47 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 31.08 cm³; (15)Molar Volume: 92.7 cm³; (16)Polarizability: 12.32×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Enthalpy of Vaporization: 46.39 kJ/mol; (19)Vapour Pressure: 0.177 mmHg at 25°C.

Preparation: This chemical can be prepared by thiophene-3-carbaldehyde. This reaction needs reagent LiAlH₄ and solvent tetrahydrofuran. The yield is 96%.

Uses: This chemical can react with 1-bromo-hexane to product 3-hexyloxymethylthiophene. This reaction needs reagent triethylbenzylammonium chloride and 50percent aq. NaOH at heating condition. The reaction time is 5.0 hours. The yield is 84%.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection to avoid contact with skin and eyes. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1ccsc1
(2)InChI: InChI=1/C5H6OS/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
(3)InChIKey: BOWIFWCBNWWZOG-UHFFFAOYAM