3,4-Dimethylanilin
3,4-Dimethylaniline
CAS: 95-64-7
Molecular Formula: C8H11N
3,4-Dimethylanilin - Names and Identifiers
3,4-Dimethylanilin - Physico-chemical Properties
| Molecular Formula | C8H11N |
| Molar Mass | 121.18 |
| Density | 1.076 |
| Melting Point | 49-51°C(lit.) |
| Boling Point | 226°C(lit.) |
| Flash Point | 209°F |
| Water Solubility | <1 g/L (24 ºC) |
| Solubility | methanol: 0.1g/mL, clear |
| Vapor Presure | 3.72Pa at 25℃ |
| Appearance | Crystalline Mass or Crystals |
| Color | Light beige to pink to brown |
| Merck | 14,10084 |
| BRN | 507414 |
| pKa | pK1:5.17(+1) (25°C) |
| Storage Condition | Store below +30°C. |
| Refractive Index | 1.5135 (estimate) |
| Physical and Chemical Properties | Density 1.076 melting point 49-51°C boiling point 226°C flash point 98°C water solubility <1g/L (24°C) |
| Use | For the production of vitamin B2, can also be used for the synthesis of dyes |
3,4-Dimethylanilin - Risk and Safety
| Risk Codes | R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R33 - Danger of cumulative effects R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S28 - After contact with skin, wash immediately with plenty of soap-suds. S36/37 - Wear suitable protective clothing and gloves. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S28A - |
| UN IDs | UN 3452 6.1/PG 2 |
| WGK Germany | 2 |
| RTECS | ZE9450000 |
| FLUKA BRAND F CODES | 8 |
| TSCA | Yes |
| HS Code | 29214910 |
| Hazard Class | 6.1 |
| Packing Group | II |
3,4-Dimethylanilin - Nature
Open Data Verified Data
lamellar or columnar crystals. Melting point 49~51 ℃, boiling point 226 ℃,116~118 ℃(3. lkPa), relative density 1. 076, flash point 98 ℃. Slightly soluble in water, soluble in ether, petroleum ether and other organic solvents.
Last Update：2024-01-02 23:10:35
3,4-Dimethylanilin - Preparation Method
Open Data Verified Data
2-chloromethyl-4-nitrotoluene method.
3,4-= methyl acetophenone method with 3,4-= methyl acetophenone as raw material, first with hydroxylamine hydrochloride reaction, then with polyphosphoric acid reaction, finally hydrolysis can be obtained product.
Last Update：2022-01-01 10:51:03
3,4-Dimethylanilin - Use
Open Data Verified Data
It is an intermediate of vitamin B2 in medicine and can also be used as a dye intermediate.
Last Update：2022-01-01 10:51:02
3,4-Dimethylanilin - Safety
Open Data Verified Data
- The oral LD50 of this product is 707 ~ 812mg/kg. Oral ingestion and inhalation through the skin can cause poisoning.
- 50kg in iron drum. Store in a cool and ventilated warehouse, away from fire and heat sources, and avoid direct sunlight. With Isolation of edible raw materials for storage and transportation.
Last Update：2022-01-01 10:51:03
3,4-Dimethylanilin - Reference Information
| LogP | 1.8 at 25℃ |
| dissociation constant | 5.15 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) |
| Use | 3, 4-dimethylaniline is an intermediate of the herbicide dimethopentole, and is also an intermediate of pharmaceutical vitamin B2. It is an intermediate of vitamin B2 in medicine and can also be used as a dye intermediate. for the production of vitamin B2, can also be used for the synthesis of dyes |
| production method | 2-chloromethyl-4-nitrotoluene was prepared by chloromethylation of p-nitrotoluene with dichloromethyl ether in a yield of 95%; the catalyst was then used to catalyze the hydrogenation at 35-30 ° C. And 3.5-4MPa to give 3, 4-dimethylaniline. Another method uses 3, 4-dimethylacetophenone as the starting material. With hydroxylamine hydrochloride, Polyphosphoric acid reaction, the final hydrolysis of 3,4-dimethyl aniline. The preparation method is obtained by chloromethylating p-nitrotoluene as a raw material, followed by hydrogenation, reduction and dechlorination. Add dichloromethyl ether, P-nitrotoluene and chlorosulfonic acid in the reaction kettle, stir the reaction at 15~20 ℃, then hydrolyze and filter, wash the filter cake to obtain 2-chloromethyl-4-nitrotoluene, dissolve 2-chloromethyl-4-nitrotoluene in ethanol, add Raney nickel, first replace the air in the reactor with nitrogen, then pass hydrogen, control temperature 35~50 ℃, pressure 3.4~3.9 MPa, after the hydrogen gas is passed through and the ethanol is recovered by distillation, sodium hydroxide is added for alkalization, and then the product is obtained by steam distillation. 3, 4-dimethylaniline can also be prepared from O-xylene and the starting material. Dissolve O-xylene in carbon disulfide, add anhydrous aluminum trichloride as catalyst, then add acetyl chloride Dropwise, add Dropwise, react at 90 ℃ for 30min, then add hydrochloric acid and pour into human ice water, separate the aqueous solution, the extract was extracted with ether, washed with water, dried, distilled off, and distilled under reduced pressure to give 3, 4-dimethylacetophenone. Then 3, 4-dimethylacetophenone was added to the mixture of hydroxylamine hydrochloride, water, potassium acetate and methanol at 40 ℃, and then refluxed for 2H in a water bath, poured into water, stirred, upon cooling, crystals were precipitated, filtered, washed with water, and recrystallized from petroleum ether to give 2-(3, 4-dimethylphenyl) glyoxime. Then the oximate and polyphosphoric acid were heated in water bath for 5~10min, then exotherm was started, and the mixture was kept at 120 ℃ for 15min, and then recrystallized from dilute ethanol to obtain acetyl 3, 4-dimethylaniline, then refluxed with sulfuric acid and ethanol for 1.5h, concentrated to half under reduced pressure, added alkali to alkali, extracted with ether, dried, and distilled off ether to obtain the finished product. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 812 mg/kg; Oral-mouse LD50: 707 mg/kg |
| flammability hazard characteristics | open flame flammable; Working with oxidants; high thermal decomposition of toxic nitrogen oxides smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature, separate storage of food additives |
| fire extinguishing agent | foam, water mist, carbon dioxide, dry powder, sand |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:12
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