3,4-DiHalide
3,4-Dichloroaniline
CAS: 95-76-1
Molecular Formula: C6H5Cl2N
3,4-DiHalide - Names and Identifiers
| Name | 3,4-Dichloroaniline |
| Synonyms | DCA 3,4-dca 3,4-DCA 3,4-DiHalide 3,4-Dichloranilin 3,4-Dichloraniline 3,4-DICHLOROANILINE 3,4-Dichloroanaline 3,4-Dichloroaniline 3,4-Dichlorobenzenamine 3,4-DICHLOROPHENYLAMINE 3,4-dichlorobenzenamine alpha,3,4-Trichlorotoluene 3,4-Dichloro-4-benzenamine |
| CAS | 95-76-1 |
| EINECS | 202-448-4 |
| InChI | InChI:1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2 |
3,4-DiHalide - Physico-chemical Properties
| Molecular Formula | C6H5Cl2N |
| Molar Mass | 162.02 |
| Density | 1,34 g/cm3 |
| Melting Point | 69-71°C(lit.) |
| Boling Point | 272°C(lit.) |
| Flash Point | 166 °C |
| Water Solubility | 0.06 g/100 mL |
| Solubility | 0.73g/l |
| Vapor Presure | 97.5Pa at 78℃ |
| Appearance | Crystalline Mass and/or Chunks |
| Color | Beige to brown |
| Merck | 14,3054 |
| BRN | 636837 |
| pKa | 2.90±0.10(Predicted) |
| PH | 7.1 (0.8g/l, H2O) |
| Storage Condition | 0-6°C |
| Stability | Stable, but darkens in storage. Combustible. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides. |
| Refractive Index | 1.6140 (estimate) |
| Physical and Chemical Properties | Brown needle crystal. Flammable. Melting Point 72 °c. Boiling point 272 °c. Flash point 166.1 °c. Almost insoluble in water, soluble in ethanol, ether, benzene-soluble. |
| Use | Intermediates of herbicides in pesticides, and intermediates of dyes |
3,4-DiHalide - Risk and Safety
| Risk Codes | R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R41 - Risk of serious damage to eyes R43 - May cause sensitization by skin contact R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R33 - Danger of cumulative effects |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 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.) S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S36/37 - Wear suitable protective clothing and gloves. S28 - After contact with skin, wash immediately with plenty of soap-suds. |
| UN IDs | UN 3442 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | BX2625000 |
| FLUKA BRAND F CODES | 8 |
| TSCA | Yes |
| HS Code | 29214210 |
| Hazard Class | 6.1 |
| Packing Group | II |
3,4-DiHalide - Nature
Open Data Verified Data
Brown needle crystal. Flammable. Melting Point 72 °c. Boiling point 272 °c. Flash point 166.1 °c. Almost insoluble in water, soluble in ethanol, ether, benzene-soluble.
Last Update：2024-01-02 23:10:35
3,4-DiHalide - Preparation Method
Open Data Verified Data
Under the action of catalyst (ferric chloride), p-nitrochlorobenzene is subjected to chlorination reaction by uniformly passing chlorine gas at (100±5) ° C. To obtain 3, 4-chloronitrobenzene. It is then reduced with iron powder in an aqueous solution of ammonium chloride to give 3,4-= chloroaniline. Xylene is added to extract, deposit, filter and dry many times to obtain the finished product.
Last Update：2022-01-01 10:51:34
3,4-DiHalide - Use
Open Data Verified Data
It can be used as dye intermediate, pesticide (dimethoate, dimethazine, etc.) intermediate and biologically active component intermediate.
Last Update：2022-01-01 10:51:33
3,4-DiHalide - Safety
Open Data Verified Data
- This product is toxic. Can cause respiratory system, nervous system and hematopoietic system lesions. Mice were fed with LD50 lOOOmg/kg, rats were fed with LD50 700mg/kg. The olfactory threshold of rats was 0.047mg/m3; The lowest light perception of eyes was 0. 025mg/kg. Equipment should be sealed to prevent running, run, drop, leakage. Protective equipment should be worn during operation to avoid direct contact with the human body. The maximum allowable concentration in the air of the operating site is 0. 05mg/m3.
- the use of iron drum packaging, general self-use. Storage in iron cans, pump delivery.
Last Update：2022-01-01 10:51:34
3,4-DiHalide - Reference Information
| LogP | 2.68 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | used as an intermediate of medicine, pesticide and dye 3, 4-dichloroaniline is the herbicide, the intermediates of Rigu-long, caoben, etc. 3, 4-dichloroaniline is a kind of commonly used chemical raw materials, pesticides used for the synthesis of dichlorohydrin, trichlorone, rifampicin and other herbicides, dyes can be synthesized disperse red GA, it is used for the synthesis of dichlorophenyl thiourea in medicine. herbicide intermediates and dye intermediates in pesticides |
| production method | with anhydrous ferric chloride as catalyst, P-nitrochlorobenzene in molten state at 105 ℃ was introduced with chlorine gas to obtain 3, 4-dichloronitrobenzene. Further, a reduction reaction was carried out under reflux with iron powder, formic acid and water to obtain 3,4-dichloroaniline. 3, 4-dichloronitrobenzene can also be obtained from the nitration of O-dichlorobenzene. Glacial acetic acid may be used in place of formic acid in the reduction reaction with iron powder. Another reduction method is the catalytic hydrogenation method. The preparation method is to add P-chloronitrobenzene and anhydrous ferric chloride catalyst in the reaction kettle, and inject chlorine at 100~110 ℃, the end point of the reaction is determined when the freezing point of the chlorination reactant is 30 to 31 °c. The product was transferred to the reduction kettle, and sodium thiosulfate (to eliminate the influence of residual chlorine in the reactant) and formic acid were added. The mixture was heated to 100 ° C. (reflux state). Iron powder was slowly added (about 4~5h added), and then the Reflux reaction was continued. When no nitrobenzene was observed, it was the end point of the reaction. Add 3, 4-dichloroaniline yield 5~6 times of chlorobenzene, stirring 0.5~1.0 h, after cooling, filtering and washing the filter residue with a small amount of chlorobenzene, the resulting filtrate was 3, A solution of 4-dichloroaniline in Chlorobenzene was heated to give 3, 4-dichloroaniline. It can also be obtained by catalytic hydrogenation of 3, 4-dichloronitrobenzene. In the autoclave, 3, 4-dichloronitrobenzene was added, and Raney nickel catalyst was added, industrial ethanol was used as the solvent, and the high pressure system was driven by nitrogen for 3 times and hydrogen for 3 times, hydrogen is then charged to a pressure of 4 MPa while the temperature is raised to 60 to 70 ° C. To carry out the reaction until hydrogen is not absorbed, and then cooled and post-treated to obtain a finished product. In addition, it is also possible to use O-dichlorobenzene as a raw material, to obtain 3, 4-dichloronitrobenzene by nitration, and then further reduce to obtain a finished product. Most foreign enterprises use this method to produce 3,4-dichloroaniline. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 545 mg/kg; Oral-mouse LD50: 740 mg/kg |
| stimulation data | Skin-rabbits 2 mg/24 h severe; eye-rabbit 0.25 mg/24 h severe |
| flammability hazard characteristics | open flame combustible Combustion releases toxic chlorides, NOx fumes |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; With oxidant, food additives, separate storage of acids |
| fire extinguishing agent | foam, 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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