Introduction：Basic information about 2,4-Dichlorobenzyl chloride CAS 94-99-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2,4-Dichlorobenzyl chloride Basic information
| Product Name: | 2,4-Dichlorobenzyl chloride |
| Synonyms: | 2,4-dichloro-1-(chloromethyl)-benzen;2,4-Dichloro-1-(chloromethyl)benzene;2,4-dichloro-1-chloromethyl-benzene;-2,4-Trichlorotoluene;benzene,2,4-dichloro-1-(chloromethyl)-;Toluene, alpha2,4-trichloro-;toluene,α,2,4-trichloro-;α,2,4-trichlorotoluene |
| CAS: | 94-99-5 |
| MF: | C7H5Cl3 |
| MW: | 195.47 |
| EINECS: | 202-381-0 |
| Product Categories: | Aromatics;Miscellaneous Reagents;Aromatic Halides (substituted);Econazole Nitrate |
| Mol File: | 94-99-5.mol |
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2,4-Dichlorobenzyl chloride Chemical Properties
| Melting point | -2.6 °C (lit.) |
| Boiling point | 248 °C (lit.) |
| density | 1.407 g/mL at 25 °C (lit.) |
| refractive index | n20/D 1.576(lit.) |
| Fp | >230 °F |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| form | Oily Liquid |
| color | Clear colorless to very light yellow |
| BRN | 387220 |
| InChI | InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2 |
| InChIKey | IRSVDHPYXFLLDS-UHFFFAOYSA-N |
| SMILES | C1(CCl)=CC=C(Cl)C=C1Cl |
| LogP | 4.08 |
| CAS DataBase Reference | 94-99-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 2,4-dichloro-1-(chloromethyl)-(94-99-5) |
| EPA Substance Registry System | Benzene, 2,4-dichloro-1-(chloromethyl)- (94-99-5) |
Safety Information
| Hazard Codes | C,N |
| Risk Statements | 34-37-50/53-22 |
| Safety Statements | 26-36/37/39-45-61-60 |
| RIDADR | UN 3265 8/PG 2 |
| WGK Germany | 3 |
| F | 19 |
| Hazard Note | Corrosive |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | II |
| HS Code | 29036990 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Skin Corr. 1B |
2,4-Dichlorobenzyl chloride Usage And Synthesis
| Chemical Properties | clear colorless to very light yellow oily liquid |
| Uses | 2,4-Dichlorobenzyl chloride is a reagent used in the addition of dichlorobenzene. |
| Uses | 2,4-Dichlorobenzyl chloride was used as starting reagent for the synthesis of series of novel 1,2,4-triazolium derivatives. |
| Synthesis | 1777-82-8 94-99-5 GENERAL STEPS: 2,4-dichlorobenzyl alcohol (17.7 g, 0.1 mol), dichloromethane (30 mL), and N,N-dimethylformamide (DMF, 1 mL) were added to a 100 mL round-bottomed flask, followed by the slow dropwise addition of phosphorus trichloride (4.68 g, 0.034 mol). The reaction mixture was heated to reflux temperature (60-80°C) and the reaction lasted for 2-3 hours. The progress of the reaction was monitored by thin layer chromatography (TLC) until the complete disappearance of the raw material. After completion of the reaction, 2,4-dichlorobenzyl chloride (17.99 g, 92% yield) was purified by distillation. |
| References | [1] Patent: CN106117028, 2016, A. Location in patent: Paragraph 0053; 0054; 0055; 0056 |
2,4-Dichlorobenzyl chloride Preparation Products And Raw materials
| Raw materials | Chlorine-->ABIN-->2,4-Dichlorotoluene-->ALPHA,ALPHA,2,4-TETRACHLOROTOLUENE-->2,4-Dichlorobenzonitrile-->1,3-Bis(chloromethyl)benzene-->2,4-Dichlorobenzoic acid-->2,4-Dichlorobenzyl alcohol-->Dichloromethane-->Phosphorus trichloride |
| Preparation Products | 2,4-Dichlorobenzaldehyde-->ALPHA,ALPHA,2,4-TETRACHLOROTOLUENE-->2,4-Dichlorophenylacetonitrile-->Lonidamine-->5-AMino-1-(2,4-dichlorobenzyl)-1H-indazol-3-ol-->1-((2,4-DICHLOROBENZYL)AMINO)PROPAN-2-OL-->N-(2,4-DICHLOROBENZYL)-2-METHOXYETHANAMINE-->1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)ethanone |
