phenyl carbonochloridate
Carbonochloridic acid, phenyl ester
CAS: 1885-14-9
Molecular Formula: C7H5ClO2
phenyl carbonochloridate - Names and Identifiers
| Name | Carbonochloridic acid, phenyl ester |
| Synonyms | chlorocarbonic acid PHENYL CHLOROFORMAT phenyl chloroformate CARBONOCHLORIDIC ACID phenyl carbonochloridate PHENYL CHLOROFORMATE (PCF) Phenyl Chloroformate (PCF) Choroformic acidphenyl ester Phenyl carbonochloridic acid carbonochloridic acid phenyl ester Carbonochloridic acid, phenyl ester |
| CAS | 1885-14-9 |
| EINECS | 217-547-8 |
| InChI | InChI=1/C7H5ClO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H |
phenyl carbonochloridate - Physico-chemical Properties
| Molecular Formula | C7H5ClO2 |
| Molar Mass | 156.57 |
| Density | 1.248 g/mL at 25 °C (lit.) |
| Melting Point | -28 °C |
| Boling Point | 74-75 °C/13 mmHg (lit.) |
| Flash Point | 168°F |
| Water Solubility | hydrolysis |
| Solubility | Miscible with N,N-dimethylformamide. |
| Vapor Presure | 1.22 psi ( 20 °C) |
| Vapor Density | 1 (vs air) |
| Appearance | Liquid |
| Color | Clear |
| BRN | 606778 |
| Storage Condition | 2-8°C |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.511(lit.) |
| Physical and Chemical Properties | Corrosive oily liquid. boiling point 187 ℃ relative density 1.248 refractive index 1.5162 flash point 75 ℃ solubility insoluble in water, soluble in ethanol, ether, soluble in petroleum ether. |
| Use | Used as a reagent for organic synthesis |
phenyl carbonochloridate - Risk and Safety
| Hazard Symbols | T+ - Very toxic |
| Risk Codes | R22 - Harmful if swallowed R26 - Very Toxic by inhalation R34 - Causes burns R41 - Risk of serious damage to eyes R38 - Irritating to the skin R29 - Contact with water liberates toxic gas R37 - Irritating to the respiratory system |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S28 - After contact with skin, wash immediately with plenty of soap-suds. 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.) S28A - |
| UN IDs | UN 2746 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | FG3850000 |
| FLUKA BRAND F CODES | 10-19-21 |
| TSCA | Yes |
| HS Code | 29159020 |
| Hazard Class | 6.1 |
| Packing Group | II |
| Toxicity | LD50 orally in Rabbit: 1730 mg/kg LD50 dermal Rabbit 4880 mg/kg |
phenyl carbonochloridate - 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) |
| Introduction | phenyl chloroformate is an important fine chemical intermediate, which is widely used in chemical synthesis, it can be used as polymerization catalyst, plastic modifier, fiber treatment agent, and intermediate of medicine and pesticide. The main synthesis method of phenyl chloroformate is Phosgene Method, phenol is dissolved in chloroform, and phosgene is introduced under cooling, so that the ratio of the amount of absorbed phosgene to the amount of substances such as phenol, an equal amount of N,N-dimethylaniline was added dropwise with stirring at 5-10 °c. Then diluted with cold water, the oil layer was separated and washed with dilute hydrochloric acid and water successively. After drying with anhydrous calcium chloride, chloroform was distilled and recovered, and then distillation was conducted under reduced pressure to collect a fraction of 74-75 ° C. (1.73kPa), that is, phenyl chloroformate, with a yield of about 90%. |
| Application | phenyl chloroformate is a corrosive oily liquid, insoluble in water, soluble in ethanol, ether, soluble in petroleum ether, phenyl chloroformate is an important intermediate in organic synthesis, which is widely used in chemical synthesis. It can be used as polymer catalyst, plastic modifier, fiber treatment agent, and intermediate of medicine and pesticide. |
| preparation | a two-step synthesis method for preparing pure phenyl chloroformate, mainly including the following steps: 1) add 50g of phenol in molten state and 2.5g of catalyst N,N-dimethylformamide to the reaction vessel, turn on stirring, inject 1.06mol phosgene at 100 ℃, and add activated carbon after complete reaction, nitrogen gas is introduced into the reaction solution for about 20min. At the same time, an automatic ammonia water spraying system is added above the reactor. If phosgene leakage occurs, the ammonia water spraying system can spray ammonia water automatically to minimize the hazard, after completion of the reaction, the crude phenyl chloroformate was obtained; 2) the crude phenyl chloroformate was subjected to vacuum distillation to obtain the pure phenyl chloroformate. The phenyl chloroformate prepared by the above method had a purity of 95.6% and a yield of 89.4%. |
| Use | as an organic synthesis reagent as an intermediate for organic synthesis products. |
| production method | is obtained by reacting phenol with phosgene. Phenol was dissolved in chloroform, and phosgene was introduced under cooling to add equimolar N,N-dimethylaniline Dropwise while stirring at 5-10 ° C., so that the amount of the absorbed phosgene was equimolar to that of phenol. Then diluted with cold water, the oil layer was separated and washed with dilute hydrochloric acid and water successively. After drying with anhydrous calcium chloride, chloroform was distilled off, and then distilled under reduced pressure to collect a fraction of 74-75 ° C. (1.73kPa), I .e., phenyl chloroformate. The yield was about 90%. |
| category | toxic substances |
| toxicity grade | high toxicity |
| Acute toxicity | inhalation-rat LCL0: 44 PPM/4 min; inhalation-mouse LC 0.8 mg/m3/10 min |
| stimulation data | Skin-rabbits 500 mg/24 h mild; eye-rabbit 0.05 mg/24 h severe |
| flammability hazard characteristics | toxic hydrogen chloride gas |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored and transported separately from oxidant and food |
| extinguishing agent | dry powder, sand, foam, carbon dioxide |
| autoignition temperature | 540°C |
Last Update：2024-04-24 14:01:43
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