3-Methylbenzoyl chloride CAS 1711-06-4
Introduction：Basic information about 3-Methylbenzoyl chloride CAS 1711-06-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Methylbenzoyl chloride Basic information
| Product Name: | 3-Methylbenzoyl chloride |
| Synonyms: | 3-Methylbenzenecarbonyl chloride;3-Methylbenzoic acid chloride;m-Methylbenzoic acid chloride;m-Toluoyl chloride,99%;M-Toluoyl chloride, 99% 5GR;3-METHYLBENZOYL CHLORIDE FOR SYNTHESIS;Benzoyl chloride,3-Methyl-;m-Toluoyl chloride |
| CAS: | 1711-06-4 |
| MF: | C8H7ClO |
| MW: | 154.59 |
| EINECS: | 216-976-8 |
| Product Categories: | Thiophenes;Acid HalidesDerivatization Reagents;Carbonyl Compounds;Derivatization Reagents HPLC;Organic Building Blocks;UV-VIS;ACIDHALIDE |
| Mol File: | 1711-06-4.mol |
3-Methylbenzoyl chloride Chemical Properties
| Melting point | -23°C |
| Boiling point | 86 °C/5 mmHg (lit.) |
| density | 1.173 g/mL at 25 °C (lit.) |
| refractive index | 1.5475-1.5495 |
| Fp | 76 °C |
| storage temp. | Inert atmosphere,2-8°C |
| form | Liquid |
| color | Clear colorless to light brown |
| Specific Gravity | 1.17 |
| Water Solubility | Reacts with water. |
| Sensitive | Moisture Sensitive |
| BRN | 878419 |
| InChI | 1S/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3 |
| InChIKey | YHOYYHYBFSYOSQ-UHFFFAOYSA-N |
| SMILES | Cc1cccc(c1)C(Cl)=O |
| CAS DataBase Reference | 1711-06-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoyl chloride, 3-methyl-(1711-06-4) |
| EPA Substance Registry System | Benzoyl chloride, 3-methyl- (1711-06-4) |
Safety Information
| Hazard Codes | C |
| Risk Statements | 34-36/37 |
| Safety Statements | 24/25-45-36/37/39-27-26-23 |
| RIDADR | 3265 |
| WGK Germany | 1 |
| RTECS | DM6644000 |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | II |
| HS Code | 29163990 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Skin Corr. 1B |
| Chemical Properties | clear colorless to light brown liquid |
| Uses | m-Toluoyl chloride has been used to derivatize the C1-C4 aliphatic amines for their determination in air by HPLC. It has been used in determination of atmospheric ammonia by denuder-sampling and HPLC-UV detection. |
| General Description | m-Toluoyl chloride is an efficient derivatization reagent for amines. |
| Synthesis | 99-04-7 1711-06-4 In a 1000 mL three-necked flask equipped with a thermometer, a mechanical stirrer, a reflux condenser tube and an off-gas absorption device, 540.56 g of m-methylbenzoic acid, 573.0 g of thionyl chloride and 1.0 g of N,N-dimethylformamide were added sequentially. The reaction mixture was heated to 90°C and the reaction was continuously stirred at this temperature for 3 hours. Upon completion of the reaction, the system was clear. The excess thionyl chloride was removed by distillation under reduced pressure, and 610.0 g of m-toluoyl chloride was finally obtained, which was determined to have a purity of 98.2% and a yield of 99.3%. |
| References | [1] Patent: CN107417518, 2017, A. Location in patent: Paragraph 0028 [2] Patent: CN105348085, 2016, A. Location in patent: Paragraph 0026; 0027; 0028; 0029; 0030 [3] Patent: CN107400052, 2017, A. Location in patent: Paragraph 0016 [4] Canadian Journal of Chemistry, 1963, vol. 41, p. 2962 - 2968 [5] Chemische Berichte, 1879, vol. 12, p. 2300 |
3-Methylbenzoyl chloride Preparation Products And Raw materials
| Raw materials | m-Toluic acid-->m-Xylene |
| Preparation Products | (1R,2R)-(-)-1,2-Diaminocyclohexane-->trans-1,4-Diaminocyclohexane-->cis-1,2-Diaminocyclohexane-->3-Methylbenzophenone-->(1S,2S)-(+)-1,2-Diaminocyclohexane-->3-METHYLHIPPURIC ACID-->METHOXYPHENONE-->3-Benzoylphenylacetonitrile-->3-METHYL-THIOBENZAMIDE-->3-(Chloromethyl)benzoyl chloride-->3-METHYLBENZYL ISOTHIOCYANATE-->3-Methylbenzyl chloride-->3-Benzoylbenzyl bromide-->3-BENZOYLPHENYLACETIC ACID |
