13906-09-7
2-Mercapto-4(3H)-quinazolinone
CAS: 13906-09-7
Molecular Formula: C8H6N2OS
13906-09-7 - Names and Identifiers
| Name | 2-Mercapto-4(3H)-quinazolinone |
| Synonyms | 2-Mercapto-4-quinazolinol 2-THIO-4(3H)-QUINAZOLINONE 2-MERCAPTOQUINAZOLIN-4-ONE 2-MERCAPTO-4(3H)-QUINAZOLINONE 2-Mercapto-4(3H)-quinazolinone 2-MERCAPTOQUINAZOLIN-4(3H)-ONE 2-thioxo-2,3-dihydroquinazolin-4(1H)-one 2,3-Dihydro-2-thioxo-4(1H)-quinazolinone 2,3-dihydro-2-thioxoquinazolin-4(1H)-one 2,3-Dihydro-2-thioxoquinazolin-4(1H)-one 1,2,3,4-Tetrahydro-2-thioxoquinazoline-4-one |
| CAS | 13906-09-7 |
| EINECS | 237-676-3 |
| InChI | InChI=1/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12) |
13906-09-7 - Physico-chemical Properties
| Molecular Formula | C8H6N2OS |
| Molar Mass | 178.21 |
| Density | 1.46±0.1 g/cm3(Predicted) |
| Melting Point | >300 °C (lit.) |
| Boling Point | 330.5°C at 760 mmHg |
| Flash Point | 153.7°C |
| Vapor Presure | 0.000165mmHg at 25°C |
| pKa | 9.49±0.20(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.728 |
| MDL | MFCD00006885 |
13906-09-7 - 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 |
| WGK Germany | 3 |
13906-09-7 - Introduction
2-Mercapto-4 (3H)-quinazolinone is an organic compound with the chemical formula C6H6N2OS. The following is an introduction to some of its properties, uses, methods and safety information:
Nature:
2-Mercapto-4 (3H)-quinazolinone is a colorless to yellow crystalline powder, soluble in most organic solvents, such as alcohols, ethers and ketones. It is stable in air but reacts with oxidants.
Use:
2-Mercapto-4 (3H)-quinazolinone is commonly used as catalyst, ligand and intermediate. It can be used to synthesize metal complexes and participate in organic synthesis reactions. In addition, it can also be used as a sulfide inhibitor, and is widely used in the fields of dyes, pigments, rubber and medicine.
Preparation Method:
2-Mercapto-4 (3H)-quinazolinone can be synthesized by the reaction of dimethyl dithiocarbonate and benzoyl chloride under alkaline conditions. The specific synthesis scheme can refer to the organic synthesis literature or literature database.
Safety Information:
The toxicity of 2-mercapto-4 (3H)-quinazolinone is low, but appropriate safety precautions should be taken. During use, it is recommended to wear chemical safety goggles and gloves to avoid contact with the skin and inhalation of its dust or vapor. In case of contact with skin or eyes, rinse immediately with plenty of water and consult a doctor. In addition, follow laboratory practices, avoid mixing with other chemicals, and avoid handling the compound under inappropriate environmental conditions.
Nature:
2-Mercapto-4 (3H)-quinazolinone is a colorless to yellow crystalline powder, soluble in most organic solvents, such as alcohols, ethers and ketones. It is stable in air but reacts with oxidants.
Use:
2-Mercapto-4 (3H)-quinazolinone is commonly used as catalyst, ligand and intermediate. It can be used to synthesize metal complexes and participate in organic synthesis reactions. In addition, it can also be used as a sulfide inhibitor, and is widely used in the fields of dyes, pigments, rubber and medicine.
Preparation Method:
2-Mercapto-4 (3H)-quinazolinone can be synthesized by the reaction of dimethyl dithiocarbonate and benzoyl chloride under alkaline conditions. The specific synthesis scheme can refer to the organic synthesis literature or literature database.
Safety Information:
The toxicity of 2-mercapto-4 (3H)-quinazolinone is low, but appropriate safety precautions should be taken. During use, it is recommended to wear chemical safety goggles and gloves to avoid contact with the skin and inhalation of its dust or vapor. In case of contact with skin or eyes, rinse immediately with plenty of water and consult a doctor. In addition, follow laboratory practices, avoid mixing with other chemicals, and avoid handling the compound under inappropriate environmental conditions.
Last Update：2024-04-09 20:52:54
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