513-36-0
1-Chloro-2-methylpropane
CAS: 513-36-0
Molecular Formula: C4H9Cl
513-36-0 - Names and Identifiers
| Name | 1-Chloro-2-methylpropane |
| Synonyms | Isobutyl chloride 1-CHLOROISOBUTANE ISOBUTYL CHLORIDE 1-Chloro-iso-butane 1-Chlor-2-methylpropan 1-CHLORO-2-METHYLPROPANE 1-Chloro-2-methylpropane 3-CHLORO-2-METHYLPROPANE 1-chloro-2-methyl-propan 1-chloro-2-methyl propane Propane,1-chloro-2-methyl- Iso butyl chloride or Iso butyl broMide |
| CAS | 513-36-0 |
| EINECS | 208-157-9 |
| InChI | InChI=1/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3 |
| InChIKey | QTBFPMKWQKYFLR-UHFFFAOYSA-N |
513-36-0 - Physico-chemical Properties
| Molecular Formula | C4H9Cl |
| Molar Mass | 92.57 |
| Density | 0.883 g/mL at 25 °C (lit.) |
| Melting Point | -131 °C (lit.) |
| Boling Point | 68-69 °C (lit.) |
| Flash Point | 70°F |
| Water Solubility | 28 mg/l (20 ºC) |
| Solubility | H2O: insoluble |
| Vapor Presure | 161 hPa (20 °C) |
| Appearance | Liquid |
| Color | Colorless to Almost colorless |
| Merck | 14,5138 |
| BRN | 635650 |
| Storage Condition | 2-8°C |
| Explosive Limit | 2.0-8.8%(V) |
| Refractive Index | n20/D 1.398(lit.) |
| Physical and Chemical Properties | Character: colorless liquid. melting point -131 ℃ boiling point 68~69 ℃ p-density 0.883 refractive index 1.3984 flash point <7 ℃ solubility-water-insoluble, miscible with ethanol and ether. |
| Use | Used as a catalyst component for propylene polymerization, organic synthesis and as a solvent |
513-36-0 - Risk and Safety
| Hazard Symbols | F - Flammable |
| Risk Codes | 11 - Highly Flammable |
| Safety Description | S16 - Keep away from sources of ignition. S9 - Keep container in a well-ventilated place. S33 - Take precautionary measures against static discharges. S29 - Do not empty into drains. |
| UN IDs | UN 1127 3/PG 2 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29031990 |
| Hazard Class | 3 |
| Packing Group | II |
513-36-0 - Nature
Open Data Verified Data
colorless liquid. Melting Point -131 °c. Boiling point of 68~69 deg C. The relative density was 0.883. Flash point (Open Cup)<7 °c. Refractive index 3984. Insoluble in water, miscible with ethanol and ether. Flammable, high heat, that is, the decomposition of toxic phosgene. It reacts strongly with oxidant and Burns immediately in case of open flame. The toxicity was greater than that of 1-chlorobutane.
Last Update：2024-01-02 23:10:35
513-36-0 - Preparation Method
Open Data Verified Data
reaction of isobutanol with hydrochloric acid in the presence of zinc chloride.
Last Update：2022-01-01 10:14:40
513-36-0 - Use
Open Data Verified Data
used as pharmaceutical raw materials, plasticizer, solvent, pesticide raw materials, dewaxing agent, analytical chemical reagents, can also be used in the rubber industry.
Last Update：2022-01-01 10:14:41
513-36-0 - Safety
Open Data Verified Data
packaged in 250ml glass bottles, external use of wooden box or carton protection. The words "flammable articles" shall be indicated, with Hazard code number 61050. Store in a cool, dry, ventilated warehouse. Maximum storage temperature shall not exceed 30 ℃. It should not be co-located with oxide. Packing should be strong and sealed.
Last Update：2022-01-01 10:14:41
513-36-0 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Application | Chloroisobutane is an important raw material for organic synthesis. Because its structural chlorine atoms are very active, it can react with aromatic amines and aliphatic amines to remove hydrogen chloride to generate corresponding amines. Therefore, it can be used as an intermediate for medicines, pesticides, additives, etc., as well as as solvents and refrigerants. |
| preparation | 1) after adding a certain amount of thionyl chloride into a 250mL three-neck bottle, adding a small amount of pyridine and keeping a constant temperature at the reaction temperature. 2) add a certain amount of isobutanol into the dropping funnel, adjust the piston to drop it into the mixed solution of thionyl chloride-pyridine, stir, absorb the reaction tail gas with NaOH dilute solution, and record the reaction time after dropping. 3) After the reaction is completed, the supernatant is taken through alkali washing, water washing, drying and distillation, and the fraction at 68~72 ℃ is collected to calculate the yield of chloroisobutane. |
| Use | Used as a catalyst component and solvent for propylene polymerization and used in organic synthesis Used as a solvent and also used in organic synthesis Used as pharmaceutical raw materials, plasticizers, solvents, pesticide raw materials, dewaxing agents, analytical chemical reagents, and can also be used in the rubber industry. Used as a catalyst component for propylene polymerization, organic synthesis and as a solvent |
| Production method | It is obtained by the reaction of isobutanol and thionyl chloride. Preheat thionyl chloride first and slowly add isobutanol. After adding, heat and reflux for 10-12h until the temperature is stable at about 70 ℃, cool and distilled, wash and dry the crude product, fractionate at normal pressure, and collect the fraction at 67.5-69 ℃ as the finished product. The product can also be made by reacting isobutanol and hydrochloric acid in the presence of zinc chloride. |
| spontaneous combustion temperature | 395°C |
Last Update：2024-04-10 22:29:15
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