Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-Chloro-2-methylanisole
3-CHLORO-2-METHYLANISOLE · 2-METHYL-3-CHLOROANISOLE · 2-Methoxy-6-chlorotoluene · 3-chloro-2-methoxyanisole · 2-CHLORO-6-METHOXYTOLUENE · 3-chloro-2-methylanisole,98% · 2-Chloro-6-methoxytoluene >1-Chloro-3-methoxy-2-methylbenzene · 3-chloro-2-methylbenzenemethylether
식별자 및 물리적 특성
| CAS No. | 3260-88-6 |
|---|---|
| 분자식 | C8H9ClO |
| 평균 분자량 | 156.61 g/mol |
| 단동위원소 질량 | 156.03419259 g/mol |
| SMILES | COc1cccc(Cl)c1C |
| InChIKey | LTVRGAWOEOKGJZ-UHFFFAOYSA-N |
| PubChem CID | 76749 |
| EC No. | 221-862-6 |
| DTXSID | DTXSID1074599 |
화학 및 물리적 성질
| XLogP | 3.5 |
|---|---|
| 극성 표면적 | 9.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 105 |
| 녹는점 | -3°C |
| 끓는 점 | 213-217 °C (lit.) |
| 밀도 | 1.16 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.42(lit.) |
| 인화점 | 140 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| BRN | 1862220 |
| InChI | 1S/C8H9ClO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3 |
| InChIKey | LTVRGAWOEOKGJZ-UHFFFAOYSA-N |
| SMILES | COc1cccc(Cl)c1C |
| EPA | Benzene, 1-chloro-3-methoxy-2-methyl- (3260-88-6) |
안전 및 규제
| GHS 분류 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 63 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Benzene, 1-chloro-3-methoxy-2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-chloro-3-methoxy-2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 1993 3/PG 3 |
| 관세 코드 | 2909.50.5000 |
| 위험 표시 | Xi |
| 포장분류 | III |
| 위험 등급 | 3Flam. Liq. 3 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
Arene-manganese tricarbonyl complexes are prepared using 3-Chloro-2-methylanisole.
일반 설명
3-Chloro-2-methylanisole can be prepared via trifluoroacetic (TFA) anhydride reaction. Enthalpy of vaporization of 3-chloro-2-methylanisole at boiling point (488.15K) is 42.747kjoule/mol.