1-Chlorocyclohexane
Cyclohexyl chloride
CAS: 542-18-7
Molecular Formula: C6H11Cl
1-Chlorocyclohexane - Names and Identifiers
| Name | Cyclohexyl chloride |
| Synonyms | IL8RA Chlorocyclohexane Chlorhexamethylene Cyclohexyl chloride 3-chloro-cyclohexen 3-chlorocyclohexane 1-Chlorocyclohexane 3-chloro-1-cyclohexene Chlorocyclohexane,typically Chlorocyclohexane, typically Anti-CXCR1 (C-terminal) antibody produced in rabbit |
| CAS | 542-18-7 |
| EINECS | 208-806-6 |
| InChI | InChI=1/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2 |
| InChIKey | UNFUYWDGSFDHCW-UHFFFAOYSA-N |
1-Chlorocyclohexane - Physico-chemical Properties
| Molecular Formula | C6H11Cl |
| Molar Mass | 118.6 |
| Density | 1 g/mL at 25 °C (lit.) |
| Melting Point | -44 °C (lit.) |
| Boling Point | 142 °C (lit.) |
| Flash Point | 84°F |
| Water Solubility | 0.02 g/L (20 ºC) |
| Solubility | 0.40g/l |
| Vapor Presure | 7 hPa (20 °C) |
| Appearance | Liquid |
| Color | Clear |
| Merck | 14,2732 |
| BRN | 1900796 |
| Storage Condition | Store below +30°C. |
| Explosive Limit | 1.1-7.5%(V) |
| Refractive Index | n20/D 1.462(lit.) |
| Physical and Chemical Properties | Character this product is colorless liquid, with asphyxiating odor. melting point -44 ℃ boiling point 142 ℃ relative density 1.000 refractive index 1.4626 solubility insoluble in water, soluble in ethanol. |
| Use | Can produce pesticides, rubber scorch agent, medicine, etc |
1-Chlorocyclohexane - Risk and Safety
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. R20 - Harmful by inhalation |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection S16 - Keep away from sources of ignition. |
| UN IDs | UN 1993 3/PG 3 |
| WGK Germany | 1 |
| RTECS | GU8685000 |
| TSCA | Yes |
| HS Code | 29035990 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 3000 mg/kg |
1-Chlorocyclohexane - Upstream Downstream Industry
| Raw Materials | Cyclohexanol Cyclohexanol Hydrochloric acid |
| Downstream Products | Azocyclotin N-(Cyclohexylthio)phtalimide |
1-Chlorocyclohexane - Nature
Open Data Verified Data
This product is a colorless liquid with asphyxiating odor. Boiling point 142 °c. Melting Point -44 °c. The relative density was 1.000. Refractive index 4626. Insoluble in water, soluble in ethanol.
Last Update：2024-01-02 23:10:35
1-Chlorocyclohexane - Preparation Method
Open Data Verified Data
obtained by chlorination of cyclohexanol. Mix cyclohexanol with hydrochloric acid, heat on water bath (85 ℃), reflux, when the internal temperature gradually increased to about 104 ℃, Reflux reaction is completed, cooling to room temperature, after standing and stratification, the acid water was discarded, washed with saturated brine and saturated nahco3 solution once respectively, dehydrated with anhydrous calcium chloride, fractionated, and the fraction at 141~142 ℃ was collected, is the product.
Last Update：2022-01-01 10:38:21
1-Chlorocyclohexane - Use
Open Data Verified Data
pharmaceutical intermediates for the preparation of antiepileptic, spasmodic drug benzhexol hydrochloride.
Last Update：2022-01-01 10:38:21
1-Chlorocyclohexane - Safety
Open Data Verified Data
- cyclohexane has anesthetic and skin stimulating effects, and the halogenated substance has a stronger effect. The production workshop shall be well ventilated and the equipment shall be closed. The operator should wear protective gear.
- This product is shipped in iron drum or tank car. This product is flammable. Should be stored in a dry, cool, well-ventilated warehouse. Keep away from fire and heat source. Sun protection, protection against impact. According to the provisions of flammable materials storage and transportation. Light packing and light unloading to prevent package breakage.
Last Update：2022-01-01 10:38:22
1-Chlorocyclohexane - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| overview | chlorocyclohexane is a basic raw material for organic synthesis and an important fine chemical product. It is mainly used as an intermediate of rubber anti-scorch agent CTP, pharmaceutical benzohydrin hydrochloride, pesticide tricyclic tin and other products. It can also be used for synthesis of polyurethane foaming catalyst N,N-dimethylcyclohexylamine, rust inhibitor, etc. |
| preparation | add 158g of cyclohexane into a four-port flask equipped with a stirrer, a thermometer, a reflux condenser and a chlorination tube, add 0.1g of composite catalyst, place the four-port flask in the dark, start stirring, rotate 100 r/min, heat up to 60 ℃, pass in chlorine at a speed of 0.05l/min, and maintain 10-20min; Then cool down to 40 ℃, increase the rate of chlorine gas intake so that 50g of chlorine gas is introduced within 4 hours. After the reaction material is neutralized with sodium carbonate and washed with water, it is first distilled at normal pressure to obtain 101.5g of unreacted cyclohexane for the next synthesis, and then the 81-85 ℃ fraction is collected at a vacuum degree of 0.08MPa to obtain 68.2g of chlorocyclohexane. The product was analyzed by HP6890 gas chromatography, the content was 99.65%, the one-way conversion rate of cyclohexane was 35.8%, the selectivity was 88.9%, and the yield was 85.5%. |
| Use | Can be used to produce pesticides, rubber anti-scorch agents, medicines, etc. Used in organic synthesis Can produce pesticides, rubber, it can also be used to make anti-scorch agent GP and other products. Pharmaceutical intermediates, used to make anti-epileptic and spasmodic drugs benhexol hydrochloride. It is also an intermediate of the pesticide tricyclic tin and a rubber anti-scorch agent. |
| production method | obtained from chlorination of cyclohexanol: cyclohexanol and 30% hydrochloric acid are mixed and stirred, heated to 85 ℃, refluxed for 12h, and the temperature gradually rises to about 103 ℃. At the end of reflux, cool to 20 ℃, let stand and layer, remove acid water, wash once with sodium chloride saturated solution and sodium carbonate solution respectively, dry with anhydrous calcium chloride, fractionate, collect 141-142.5 ℃ fractions to obtain chlorocyclohexane. The yield was 83%. There are two methods for the synthesis of chlorocyclohexane. (1) Cyclohexanol chlorination method mixes and stirs cyclohexanol with 30% hydrochloric acid, raises the temperature to 85 ℃, refluxes for 12h, and the internal temperature gradually rises to about 103 ℃; After reflux, cool to 20 ℃, stand for stratification, remove acid water, wash once with sodium chloride saturated solution and sodium carbonate solution respectively, dry with anhydrous calcium chloride, fractionate, collect fraction at 141~142.5 ℃, and obtain chlorocyclohexane with a yield of 83%. (2) Cyclohexane chlorination is prepared by chlorination of cyclohexane with chlorine. Cyclohexane is added to the reactor, and chlorine gas is passed at 50~90 ℃. After analysis, the reaction can be stopped when the content of chlorocyclohexane reaches more than 70%. Generally, after 2 hours of reaction, the conversion rate of cyclohexane can reach more than 70%. The reaction material is rectified to recover unreacted cyclohexane. |
| category | flammable liquid |
| toxicity classification | low toxicity |
| acute toxicity | inhalation-rat LCL0:31000 mg/m3; Inhalation-mouse LC50:31000 mg/m3/2 h |
| flammability hazard characteristics | it is more flammable when exposed to open flames, high temperatures, and oxidants; combustion produces toxic chloride fumes |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; separate from oxidant |
| fire extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent |
| occupational standard | STEL 50 mg/m3 |
| spontaneous combustion temperature | 290°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:04:16
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Raw Materials for 1-Chlorocyclohexane
Downstream Products for 1-Chlorocyclohexane