6590-95-0
2,6-DICHLOROPHENYL ISOTHIOCYANATE
CAS: 6590-95-0
Molecular Formula: C7H3Cl2NS
6590-95-0 - Names and Identifiers
6590-95-0 - Physico-chemical Properties
| Molecular Formula | C7H3Cl2NS |
| Molar Mass | 204.08 |
| Density | 1.37±0.1 g/cm3(Predicted) |
| Melting Point | 38-42°C(lit.) |
| Boling Point | 122-124°C 8mm |
| Flash Point | >230°F |
| BRN | 639061 |
| Storage Condition | 2-8°C |
| Sensitive | Moisture Sensitive |
| MDL | MFCD00041056 |
| Use | Use 2, 6-dichloroisothiocyanate phenyl ester can be used as a pharmaceutical synthesis intermediate. |
6590-95-0 - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | 34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 3261 8/PG 3 |
| WGK Germany | 3 |
| Hazard Class | 6.1 |
| Packing Group | II |
6590-95-0 - Upstream Downstream Industry
6590-95-0 - Nature
| melting point | 38-42 °C(lit.) |
| boiling point | 122-124°C 8mm |
| density | 1.37±0.1 g/cm3(Predicted) |
| flash point | >230 °F |
| storage conditions | 2-8°C |
| sensitivity | Moisture Sensitive |
| BRN | 639061 |
Last Update：2024-04-10 22:29:15
6590-95-0 - Preparation
2.00 mmol2, 6-dichlorophenyldithiocarboxylic acid triethylammonium salt was added to a 50mL sola-shaped bottle, 8.00mL acetonitrile and 4.0mmol triethylamine were sequentially added, then stirred at 0 ℃, 1.00mmol of ditribromo-1, 3-dipyridinium hydrochloride propane was added in batches during the stirring process, and the temperature was kept at 0 ℃ for 30min after the addition, development agent: petroleum ether) The detection reaction is complete. When the reaction is 16 hours, the TLC detection finds that the reaction is complete, and then the filter cake is filtered, and the obtained filter cake is recovered (for the recovery method, refer to the recovery example of ditrimromo-1, 3-dipyridinium hydrochloride propane), the obtained filtrate is concentrated, and the concentrated filtrate is subjected to column chromatography to obtain yellow solid 2,6-dichlor, m.p.= 40-41 ℃.
Last Update：2024-04-10 22:29:15
6590-95-0 - Reference Information
| use | 2, 6-dichlorophenyl isothiocyanate can be used as an intermediate in pharmaceutical synthesis. |
| preparation | 2.00 mmol2, 6-dichlorophenyldithiocarboxylic acid triethylammonium salt is added to a 50mL eggplant-shaped bottle, 8.00mL acetonitrile and 4.0mmol triethylamine are sequentially added, then stirred at 0 ℃, 1.00mmol of bistribromo-1, 3-dipyridinium hydrochloride propane is added in batches during the stirring process, and the temperature is kept at 0 ℃ for 30min after adding, then raise to room temperature and stir for the reaction. During the reaction, TLC (thin layer chromatography, developing agent: petroleum ether) is used to detect that the reaction is complete. When the reaction is 16 hours, TLC detection finds that the reaction is complete, and then suction filtration is carried out to recover the obtained filter cake (for the recovery method, refer to the recovery example of ditribromo-1, 3-dipyridinium hydrochloride propane), the obtained filtrate is concentrated, and the concentrated filtrate is subjected to column chromatography to obtain yellow solid 2, phenyl 6-dichloroisothiocyanate (0.129g,29.5%),m p = 40-41 ℃. |
Last Update：2024-04-09 02:00:01
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View History
Raw Materials for 6590-95-0
Benzamide, N-[thioxo[(2,4,6-trichlorophenyl)amino]methyl]-
2,6-DICHLORO-N-HYDROXYBENZENECARBOXIMIDOYL CHLORIDE
2,6-Dichloroaniline
Thiophosgene
2,6-DICHLORO-N-HYDROXYBENZENECARBOXIMIDOYL CHLORIDE
2,6-Dichloroaniline
Thiophosgene
Downstream Products for 6590-95-0
3-(2,6-dichlorophenyl)-1-phenylurea
1,3-bis(diphenylmethyl)urea
Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-
1-PHENYL-3-(2,4,6-TRIMETHYLPHENYL)UREA
1-Benzoyl-3-phenylurea
ACETYLUREA
1,3-bis(diphenylmethyl)urea
Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-
1-PHENYL-3-(2,4,6-TRIMETHYLPHENYL)UREA
1-Benzoyl-3-phenylurea
ACETYLUREA