2,6-Xylyl isothiocyanate
2,6-Dimethylphenyl isothiocyanate
CAS: 19241-16-8
Molecular Formula: C9H9NS
2,6-Xylyl isothiocyanate - Names and Identifiers
| Name | 2,6-Dimethylphenyl isothiocyanate |
| Synonyms | 2,6-Xylyl isothiocyanate 2,6-DIMETHYLPHENYL ISOTHIOCYANATE 2,6-Dimethylisothiocyanatobenzene 2,6-Dimethylphenyl isothiocyanate 2,6-Dimethylphenyl-1-isothiocyanate Isothiocyanic acid, 2,6-xylyl ester 2-isothiocyanato-1,3-dimethylbenzene 2-Isothiocyanato-1,3-dimethylbenzene Benzene, 2-isothiocyanato-1,3-dimethyl- |
| CAS | 19241-16-8 |
| EINECS | 242-906-0 |
| InChI | InChI=1/C9H9NS/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3 |
| InChIKey | UULUECCNPPJFBU-UHFFFAOYSA-N |
2,6-Xylyl isothiocyanate - Physico-chemical Properties
| Molecular Formula | C9H9NS |
| Molar Mass | 163.24 |
| Density | 1.085 g/mL at 25 °C (lit.) |
| Boling Point | 247 °C (lit.) |
| Flash Point | >230°F |
| Water Solubility | Hydrolyzes in water. |
| Vapor Presure | 0.0138mmHg at 25°C |
| Appearance | neat |
| Specific Gravity | 1.085 |
| BRN | 637195 |
| Storage Condition | 2-8°C |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.627(lit.) |
2,6-Xylyl isothiocyanate - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R43 - May cause sensitization by skin contact |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | 2810 |
| WGK Germany | 3 |
| HS Code | 29309090 |
| Hazard Class | 6.1 |
| Packing Group | III |
2,6-Xylyl isothiocyanate - Introduction
2,6-dimethylphenyl isothiocyanate, chemical formula C10H12N2O2S2, also known as DMIT. The following is a description of its nature, use, preparation and safety information:
Nature:
2,6-dimethylphenyl isothiocyanate is a colorless to light yellow crystalline solid with a special odor. It is stable at room temperature, soluble in organic solvents such as ethanol, ether, etc., but almost insoluble in water.
Use:
2,6-dimethylphenyl isothiocyanate is mainly used as a reagent and intermediate in chemical synthesis. It is often used in organic synthesis as a protecting group for thiols, which can convert thiols into 2,6-dimethylphenyl isothiocyanate esters. In addition, it can also be used to prepare thiourea compounds, such as dyes with fluorescent properties.
Method:
2,6-dimethylphenyl isothiocyanate is usually prepared by the reaction of 2,6-dimethylphenol and dimethylsulfuryl carbonate. During the reaction, a base catalyst such as triethylamine is used to promote the reaction.
Safety Information:
2,6-dimethylphenyl isothiocyanate has low toxicity, but because it has a special odor, you should try to avoid inhaling its vapor or entering the eyes, mouth and other parts. During operation, care should be taken to use appropriate personal protective equipment, such as gloves and goggles. In addition, it is necessary to observe the safety regulations of the Good Laboratory and properly store, handle and dispose of 2,6-dimethylphenyl isothiocyanate and its waste.
Nature:
2,6-dimethylphenyl isothiocyanate is a colorless to light yellow crystalline solid with a special odor. It is stable at room temperature, soluble in organic solvents such as ethanol, ether, etc., but almost insoluble in water.
Use:
2,6-dimethylphenyl isothiocyanate is mainly used as a reagent and intermediate in chemical synthesis. It is often used in organic synthesis as a protecting group for thiols, which can convert thiols into 2,6-dimethylphenyl isothiocyanate esters. In addition, it can also be used to prepare thiourea compounds, such as dyes with fluorescent properties.
Method:
2,6-dimethylphenyl isothiocyanate is usually prepared by the reaction of 2,6-dimethylphenol and dimethylsulfuryl carbonate. During the reaction, a base catalyst such as triethylamine is used to promote the reaction.
Safety Information:
2,6-dimethylphenyl isothiocyanate has low toxicity, but because it has a special odor, you should try to avoid inhaling its vapor or entering the eyes, mouth and other parts. During operation, care should be taken to use appropriate personal protective equipment, such as gloves and goggles. In addition, it is necessary to observe the safety regulations of the Good Laboratory and properly store, handle and dispose of 2,6-dimethylphenyl isothiocyanate and its waste.
Last Update：2024-04-10 22:29:15
