4-(Chloromethyl)benzoyl chloride CAS 876-08-4
Introduction：Basic information about 4-(Chloromethyl)benzoyl chloride CAS 876-08-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-(Chloromethyl)benzoyl chloride Basic information
| Product Name: | 4-(Chloromethyl)benzoyl chloride |
| Synonyms: | 4-CHLOROMETHYLBENZOYL CHLORIDE;4-CHLOROMETHYLBENZOYL CHLORIDE 98+%;CMBC;Benzoyl chloride, 4-(chloromethyl)-;4-(Chloromethyl)benzoic acid chloride;4-Chloromethylbenzoic acid chloride;p-(Chloromethyl)benzoic acid chloride;α-Chloro-p-toluoyl chloride |
| CAS: | 876-08-4 |
| MF: | C8H6Cl2O |
| MW: | 189.04 |
| EINECS: | 212-881-0 |
| Product Categories: | Acid Halides;Carbonyl Compounds;Organic Building Blocks |
| Mol File: | 876-08-4.mol |
4-(Chloromethyl)benzoyl chloride Chemical Properties
| Melting point | 30-32 °C(lit.) |
| Boiling point | 126-128 °C6 mm Hg(lit.) |
| density | 1.2979 (rough estimate) |
| refractive index | 1.5605 (estimate) |
| Fp | 199 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | soluble in Toluene |
| form | Low Melting Crystalline Mass |
| color | White to light beige |
| InChI | InChI=1S/C8H6Cl2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2 |
| InChIKey | RCOVTJVRTZGSBP-UHFFFAOYSA-N |
| SMILES | C(Cl)(=O)C1=CC=C(CCl)C=C1 |
| CAS DataBase Reference | 876-08-4(CAS DataBase Reference) |
Safety Information
| Hazard Codes | C |
| Risk Statements | 34-36/37 |
| Safety Statements | 23-26-27-36/37/39-45-25 |
| RIDADR | 3261 |
| WGK Germany | 3 |
| HazardClass | 8 |
| PackingGroup | III |
| HS Code | 29163990 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Eye Dam. 1 Skin Corr. 1B STOT SE 3 |
| Chemical Properties | white to light beige low melting crystalline mass |
| Uses | 4-(Chloromethyl)benzoyl Chloride is used in the synthetic preparation of various compounds and pharmaceuticals. 4-(Chloromethyl)benzoyl Chloride was used in the synthesis of several imidazo[2,1-b]thiazoles. |
| Uses | 4-(Chloromethyl)benzoyl chloride was used as an atom transfer radical polymerization (ATRP) initiator in the growth of polyacrylamide (PAAm) brushes from silicon wafers. It was also used as a building block in a microwave-assisted, solid-phase synthesis of imatinib, an anticancer agent. |
| Synthesis | 1. 4-Methylbenzyl alcohol undergoes radical chlorination with chlorine gas at 60-75??C in the presence of initiator and promoter to yield 4-(trichloromethyl)benzyl alcohol. 2. The trichloromethyl compound is hydrolyzed above 60??C to give 4-(chloromethyl)benzoic acid. 3. The benzoic acid reacts with oxalyl chloride catalyzed by DMF to form 4-(chloromethyl)benzoyl chloride, which is isolated by distillation. |
4-(Chloromethyl)benzoyl chloride Preparation Products And Raw materials
| Preparation Products | 4-(CHLOROMETHYL)BENZYL ALCOHOL 99-->4-(ChloroMethyl)-N-cyclopropylbenzaMide-->4-(CHLOROMETHYL)-N-(4-METHOXYPHENYL)BENZAMIDE-->Bis{4-[ethyl-(2-hydroxyethyl)carbamoyl]benzyl} Trithiocarbonate |
