Basic information
- Name:
2-Thiophenemethanol
- CAS No.:
636-72-6
- Molecular Structure:
- Formula:
- C5H6OS
- Molecular Weight:
- 114.16
- Synonyms:
- Thenyl alcohol;thiophen-2-ylmethanol;
- EINECS:
- 211-264-3
- Density:
- 1.231 g/cm3
- Melting Point:
- 0 °C
- Boiling Point:
- 207 °C at 760 mmHg
- Flash Point:
- 76.7 °C
- Solubility:
- 40 g/L at 20 °C in water
- Appearance:
- clear colourless to light yellow liquid
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 23-24/25-36-26 Details
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Specification
The IUPAC name of 2-Thiophenemethanol is thiophen-2-ylmethanol. With the CAS registry number 636-72-6, it is also named as 2-(Hydroxymethyl)thiophene. The product's categories are Sulphur Derivatives; Thiophene & Benzothiophene; Alkohols; Heterocyclic Compounds. Besides, it is clear colourless to light yellow liquid, which should be stored in sealed containers in a cool, dry place away from oxidizing agents at 0 °C. In addition, its molecular formula is C5H6OS and molecular weight is 114.16.
The other characteristics of this product can be summarized as: (1)EINECS: 226-452-0; (2)ACD/LogP: 0.71; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.71; (5)ACD/LogD (pH 7.4): 0.71; (6)ACD/BCF (pH 5.5): 2.05; (7)ACD/BCF (pH 7.4): 2.05; (8)ACD/KOC (pH 5.5): 58.16; (9)ACD/KOC (pH 7.4): 58.16; (10)#H bond acceptors: 1; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 31.08 cm3; (15)Molar Volume: 92.7 cm3; (16)Surface Tension: 47.9 dyne/cm; (17)Density: 1.231 g/cm3; (18)Flash Point: 76.7 °C; (19)Melting Point: 0 °C; (20)Water Solubility: 40 g/L at 20 °C; (21)Enthalpy of Vaporization: 46.86 kJ/mol; (22)Boiling Point: 207 °C at 760 mmHg; (23)Vapour Pressure: 0.139 mmHg at 25 °C.
Preparation of 2-Thiophenemethanol: this chemical can be prepared by Thiophene-2-carbaldehyde.
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This reaction needs 2-Propanol and MgAl hydrotalcite at temperature of 81.85 °C. The reaction time is 3 hours. The yield is 100 %.
Uses of 2-Thiophenemethanol: this chemical is used as pharmaceutical intermediate. Additionally, it can react with Methanol to get 2-Methoxymethyl-thiophene.
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This reaction needs p-Toluenesulphonic acid by heating for 20 min. The yield is 70 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing to avoid contact with skin and eyes. Moreover, please do not breathe vapour.
People can use the following data to convert to the molecule structure.
(1)SMILES: OCc1sccc1
(2)InChI: InChI=1/C5H6OS/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
(3)InChIKey: ZPHGMBGIFODUMF-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C5H6OS/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
(5)Std. InChIKey: ZPHGMBGIFODUMF-UHFFFAOYSA-N
