Cyclohexanone, 2-chloro-
2-Chlorocyclohexanone
CAS: 822-87-7
Molecular Formula: C6H9ClO
Cyclohexanone, 2-chloro- - Names and Identifiers
| Name | 2-Chlorocyclohexanone |
| Synonyms | NSC 12439 Chlorocyclohexanone 2-CHLOROCYCLOHEXANONE 2-Chlorocyclohexonone 2-chloro-cyclohexanon 2-Chlorocyclohexanone Cyclohexanone, 2-chloro- alpha-Chlorocyclohexanone (2S)-2-chlorocyclohexanone (2R)-2-chlorocyclohexanone 2-Chlorocyclohexanone (stabilized with HQ + CaCO3) |
| CAS | 822-87-7 |
| EINECS | 212-505-5 |
| InChI | InChI=1/C6H9ClO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2/t5-/m0/s1 |
Cyclohexanone, 2-chloro- - Physico-chemical Properties
| Molecular Formula | C6H9ClO |
| Molar Mass | 132.59 |
| Density | 1.161 g/mL at 25 °C (lit.) |
| Melting Point | 23 °C (lit.) |
| Boling Point | 82-83 °C/10 mmHg (lit.) |
| Flash Point | 180°F |
| Water Solubility | Insoluble in water. |
| Vapor Presure | 0.28mmHg at 25°C |
| Appearance | Liquid |
| Color | colorless to very deep brown |
| BRN | 774100 |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.484(lit.) |
| Physical and Chemical Properties | Melting point 22-23 ℃, boiling point 90-91 ℃(1.86 Pa-2kPa),82-83 ℃(1.33kPa),79 ℃(0.93kPa), relative density 1.161(20/15 ℃), refractive index 1.4825. Flash point 82 °c. |
Cyclohexanone, 2-chloro- - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 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. S36/37 - Wear suitable protective clothing and gloves. S37/39 - Wear suitable gloves and eye/face protection S36 - Wear suitable protective clothing. |
| UN IDs | UN 3335 |
| WGK Germany | 3 |
| RTECS | GW1225000 |
| FLUKA BRAND F CODES | 10-19 |
| TSCA | Yes |
| HS Code | 29147000 |
Cyclohexanone, 2-chloro- - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | organic synthesis intermediates. |
| production method | is obtained by chlorination of cyclohexanone. Chlorine gas was introduced into the cyclohexanone aqueous solution for chlorination. After completion of the reaction, the 2-chlorocyclohexanone liquid layer was separated, and the aqueous layer was extracted with ether. The extract was combined with the chlorocyclohexanone liquid layer, washed with water, then with a saturated solution of sodium chloride, and dried over anhydrous sodium sulfate. After filtration, diethyl ether was distilled off, and distillation under reduced pressure was performed to collect a 2-chlorocyclohexanone fraction. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | intraperitoneal-mouse LD50: 830 mg/kg |
| flammability hazard characteristics | flammable; Toxic chloride fumes from thermal decomposition |
| storage and transportation characteristics | low temperature ventilation and drying |
| fire extinguishing agent | fog water, carbon dioxide, foam, dry powder |
Last Update：2024-04-09 02:00:12
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