1-chloro-hexan
1-chlorohexane
CAS: 544-10-5
Molecular Formula: C6H13Cl
1-chloro-hexan - Names and Identifiers
| Name | 1-chlorohexane |
| Synonyms | 1-Chlorhexan 1-CHLOROHEXANE HEXYL CHLORIDE 1-chloro-hexan n-Hexylchlorid N-Chlorohexane 1-chlorohexane 1-hexylchloride hexane,1-chloro- N-HEXYL CHLORIDE n-hexyl chloride 1-Hexyl chloride 1-Chloro-N-Hexane |
| CAS | 544-10-5 |
| EINECS | 208-859-5 |
| InChI | InChI=1/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3 |
| InChIKey | MLRVZFYXUZQSRU-UHFFFAOYSA-N |
1-chloro-hexan - Physico-chemical Properties
| Molecular Formula | C6H13Cl |
| Molar Mass | 120.62 |
| Density | 0.879 g/mL at 25 °C (lit.) |
| Melting Point | -94 °C (lit.) |
| Boling Point | 133-134 °C (lit.) |
| Flash Point | 80°F |
| Solubility | water: insoluble(lit.) |
| Vapor Presure | 53 hPa (55 °C) |
| Appearance | Liquid |
| Color | Clear yellow |
| Merck | 14,2144 |
| BRN | 1731289 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents, strong bases. |
| Explosive Limit | 1.0-9.6%(V) |
| Refractive Index | n20/D 1.419(lit.) |
| Physical and Chemical Properties | Melting Point -94°C(lit.) boiling point 135°C density 0.879g/mL at 25°C(lit.) refractive index n20/D 1.419(lit.) flash point 80 °F Merck 14,2144 BRN 1731289 |
| Use | For the synthesis of spices For Organic synthesis |
1-chloro-hexan - Risk and Safety
| Risk Codes | R10 - Flammable R37 - Irritating to the respiratory system R20/21 - Harmful by inhalation and in contact with skin. R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. S16 - Keep away from sources of ignition. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S60 - This material and its container must be disposed of as hazardous waste. |
| UN IDs | UN 1993 3/PG 3 |
| WGK Germany | 1 |
| TSCA | Yes |
| HS Code | 29031980 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 7000 mg/kg |
1-chloro-hexan - Reference Information
| LogP | 3.54 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | chlorohexane is mainly used as pharmaceutical synthesis intermediates and organic synthesis intermediates, mainly used in laboratory research and development process and chemical pharmaceutical synthesis process. |
| Use | for synthesis of fragrance for synthesis of fragrance |
| production method | 1. Preparation Method: In a reaction flask equipped with a stirrer, reflux condenser and dropping funnel, add 110mL(1.5mol) of thionyl chloride, and slowly add 51G (0.5mol) of hexanol -1(2) dropwise, it was added in about 2H. During the dropwise addition, sulfur dioxide and hydrogen chloride gas evolved, and the diluted alkali was used to absorb, and the color of the reaction solution became darker. Reflux reaction 2h after the addition. It is changed to a distillation unit, and sulfoxide chloride is distilled off. Fractions from 132 to 134 °c were then collected. The resulting solution was washed with water, 10% sodium carbonate and water successively, dried with anhydrous calcium chloride, fractionated, and the fraction at 133-134 ° C. Was collected to obtain 35g of 1-chlorohexane (1) in a yield of 60%. [19] |
| autoignition temperature | 225°C |
Last Update：2024-04-10 22:29:15
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