Basic information
- Name:
Phenol, 3-mercapto-
- Superlist Name:
- 3-Hydroxythiophenol
- CAS No.:
40248-84-8
- Molecular Structure:
- Formula:
- C6H6OS
- Molecular Weight:
- 126.18
- Synonyms:
- Monothioresorcinol;m-Hydroxybenzenethiol;m-Mercaptophenol;3-Mercaptophenol;3-Hydroxythiophenol;3-Hydroxybenzenethiol;3-Hydroxyphenylmercaptan;
- Density:
- 1.255 g/cm3
- Melting Point:
- 16-17 °C(lit.)
- Boiling Point:
- 256.3 °C at 760 mmHg
- Flash Point:
- 108.8 °C
- Hazard Symbols:
Xi,
Xn- Risk Codes:
- 36/37/38-20/21/22
- Safety Description:
- 26-36-7/9 Details
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Specification
The 3-Hydroxythiophenol, with the CAS registry number 40248-84-8, is also known as Phenol, 3-mercapto-. It belongs to the product categories of Thiol; Phenol & Thiophenol & Mercaptan; Phenoles and Thiophenoles; Miscellaneous. This chemical's molecular formula is C6H6OS and molecular weight is 126.1762. Its systematic name is called 3-sulfanylphenol.
Physical properties of 3-Hydroxythiophenol: (1)ACD/LogP: 1.81; (2)ACD/LogD (pH 5.5): 1.76; (3)ACD/LogD (pH 7.4): 0.77; (4)ACD/BCF (pH 5.5): 12.49; (5)ACD/BCF (pH 7.4): 1.28; (6)ACD/KOC (pH 5.5): 205.06; (7)ACD/KOC (pH 7.4): 21.01; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.642; (12)Molar Refractivity: 36.3 cm3; (13)Molar Volume: 100.4 cm3; (14)Surface Tension: 52.7 dyne/cm; (15)Density: 1.255 g/cm3; (16)Flash Point: 108.8 °C; (17)Enthalpy of Vaporization: 51.37 kJ/mol; (18)Boiling Point: 256.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00967 mmHg at 25°C.
Uses of 3-Hydroxythiophenol: it can be used to produce 3-(2-nitro-phenylsulfanyl)-phenol at temperature of 90 - 100 °C. This reaction will need reagent KOH with reaction time of 1 hour. The yield is about 40%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. 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.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(S)ccc1
(2)InChI: InChI=1/C6H6OS/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
(3)InChIKey: DOFIAZGYBIBEGI-UHFFFAOYAG
