41563-69-3
1,3-benzenedimethanethiol
CAS: 41563-69-3
Molecular Formula: C8H10S2
41563-69-3 - Names and Identifiers
| Name | 1,3-benzenedimethanethiol |
| Synonyms | O-Xylene DithiOl O-Xylene DithiOl 1,3-BENZENEDIMETHANE 1,3-benzenedimethanethiol 1,3-BENZENEDIMETHANETHIOL 1,3-phenylenediMethanethiol 1,3-bis(mercaptomethyl)benzene benzene-1,3-diyldimethanethiol 3-(MERCAPTOMETHYL)PHENYL METHANETHIOL 3-(MERCAPTOMETHYL)PHENYL METHANETHIOL 1,3-Bis(mercaptomethyl)benzenealpha,alpha'-Dimercapto-m-xylene |
| CAS | 41563-69-3 |
| InChI | InChI=1/C8H10S2/c9-5-7-2-1-3-8(4-7)6-10/h1-4,9-10H,5-6H2 |
| InChIKey | JSNABGZJVWSNOB-UHFFFAOYSA-N |
41563-69-3 - Physico-chemical Properties
| Molecular Formula | C8H10S2 |
| Molar Mass | 170.29 |
| Density | 1.15 g/mL at 25 °C (lit.) |
| Boling Point | 168-170 °C/25 mmHg (lit.) |
| Flash Point | >230°F |
| Vapor Presure | 0.00364mmHg at 25°C |
| Appearance | clear liquid |
| Specific Gravity | 1.150 |
| Color | Colorless to Light yellow |
| pKa | 9.36±0.10(Predicted) |
| Storage Condition | Room Temprature |
| Refractive Index | n20/D 1.6207(lit.) |
| MDL | MFCD00012311 |
41563-69-3 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | UN 3334 |
| WGK Germany | 3 |
41563-69-3 - Introduction
1,3-benzenedimethanethiol is an organic compound with the chemical formula C8H10S2. It is a colorless liquid with a strong foul taste.
The following are some common properties of 1,3-benzenedimethanethiol:
-Boiling point: about 185 degrees Celsius
-Melting point: about 18-20 degrees Celsius
-Density: about 1.15g/cm³
-Solubility: Soluble in organic solvents such as ethanol, dimethylformamide and dichloromethane
One of the main uses of 1,3-benzenedimethanethiol is as a reagent in organic synthesis, especially in vulcanization reactions. It can be used to prepare various organic sulfides such as 1,3-dienes, aromatic hydrocarbon-sulfides and heterocyclic sulfides. In addition, it can also be used as a catalyst for the zinc alcohol reaction for the preparation of alcohols and ethers.
the method for preparing 1,3-benzenedimethanethiol can be obtained by halogenation reaction of benzyl alcohol. firstly, benzyl alcohol is dissolved in an organic solvent, then sodium chloride and sodium sulfide are added, and the reaction can be carried out under heating. After completion of the reaction, the target product was purified by distillation.
Regarding safety information, 1,3-benzenedimethaneethiol should be operated in a well-ventilated place, avoiding inhalation and skin contact. It is irritating and corrosive and may cause damage to the eyes, skin and respiratory system. Wear suitable protective equipment such as safety glasses, gloves and face shields. Local regulations must be observed when disposing of waste.
The following are some common properties of 1,3-benzenedimethanethiol:
-Boiling point: about 185 degrees Celsius
-Melting point: about 18-20 degrees Celsius
-Density: about 1.15g/cm³
-Solubility: Soluble in organic solvents such as ethanol, dimethylformamide and dichloromethane
One of the main uses of 1,3-benzenedimethanethiol is as a reagent in organic synthesis, especially in vulcanization reactions. It can be used to prepare various organic sulfides such as 1,3-dienes, aromatic hydrocarbon-sulfides and heterocyclic sulfides. In addition, it can also be used as a catalyst for the zinc alcohol reaction for the preparation of alcohols and ethers.
the method for preparing 1,3-benzenedimethanethiol can be obtained by halogenation reaction of benzyl alcohol. firstly, benzyl alcohol is dissolved in an organic solvent, then sodium chloride and sodium sulfide are added, and the reaction can be carried out under heating. After completion of the reaction, the target product was purified by distillation.
Regarding safety information, 1,3-benzenedimethaneethiol should be operated in a well-ventilated place, avoiding inhalation and skin contact. It is irritating and corrosive and may cause damage to the eyes, skin and respiratory system. Wear suitable protective equipment such as safety glasses, gloves and face shields. Local regulations must be observed when disposing of waste.
Last Update：2024-04-10 22:29:15
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View History
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