3,5-DIMETHOXYBENZOYL염화물
3,5-DIMETHOXYBENZOYL염화물 · AKOS 91393 · TIMTEC-BB SBB009969 · LABOTEST-BB LTBB000778 · 3,5-DIMETHOXYBENZOYL CHLORIDE · 3,5-DimethoxybenzoylChloride>Benzoyl chloride, 3,5-dimethoxy- · 3,5-dimethoxybenzeneformylchloro · 3,5-Dimethoxybenzoyl chloride 97%
식별자 및 물리적 특성
| CAS No. | 17213-57-9 |
|---|---|
| 분자식 | C9H9ClO3 |
| 평균 분자량 | 200.62 g/mol |
| 단동위원소 질량 | 200.02402183 g/mol |
| SMILES | COc1cc(OC)cc(C(=O)Cl)c1 |
| InChIKey | FTHPLWDYWAKYCY-UHFFFAOYSA-N |
| PubChem CID | 87003 |
| EC No. | 241-256-5 |
| DTXSID | DTXSID80938094 |
| 현지명 | 3,5-DIMETHOXYBENZOYL염화물 |
화학 및 물리적 성질
| XLogP | 3.2 |
|---|---|
| 극성 표면적 | 35.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 172 |
| 녹는점 | 43-46 °C (lit.) |
| 끓는 점 | 157-158 °C/16 mmHg (lit.) |
| 밀도 | 1.2799 (rough estimate) |
| 굴절률 | 1.5230 (estimate) |
| 인화점 | >230 °F |
| 저장 조건 | RT, stored under nitrogen |
| 물리적 상태 | powder to lump |
| 색상 | 흰색에서 밝은 노란색 |
| 용해도 | 물에서 가수분해됩니다. |
| BRN | 511839 |
| InChI | InChI=1S/C9H9ClO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3 |
| InChIKey | FTHPLWDYWAKYCY-UHFFFAOYSA-N |
| SMILES | C(Cl)(=O)C1=CC(OC)=CC(OC)=C1 |
화학적 성질
off-white to light brown crystalline powder
안전 및 규제
| GHS 분류 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1C (100%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 3261 8/PG 2 |
| 관세 코드 | 2916.39.7900 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | II |
| 위험 등급 | 8Skin Corr. 1B |
| F 고인화성물질 | 10-19-21 |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
3,5-Dimethoxybenzoyl chloride was used to study the mechanism and kinetics of solvolysis of 3,4- and 3,5-dimethoxybenzoyl chlorides in various binary solvents. 3,5-Dimethoxybenzoyl chloride undergoes addition reaction with 4,4-dimethyl-2-pentyne in presence of AlCl3 via 1,2- methyl shift. It is used as a chemical and organic intermediate.
일반 설명
3,5-Dimethoxybenzoyl chloride undergoes addition reaction with 4,4-dimethyl-2-pentyne in presence of AlCl3 via 1,2- methyl shift.