Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-Chloroanisole
1-Chloro-3-methoxybenzene · 1-chloro-3-methoxy-benzen · m-chlorophenylmethylether · oroanisoL · 3-CHLOROANISOL · M-CHLOROANISOLE · 3-CHLOROANISOLE · Anisole, m-chloro-
식별자 및 물리적 특성
| CAS No. | 2845-89-8 |
|---|---|
| 분자식 | C7H7ClO |
| 평균 분자량 | 142.58 g/mol |
| 단동위원소 질량 | 142.0185425 g/mol |
| SMILES | COc1cccc(Cl)c1 |
| InChIKey | YUKILTJWFRTXGB-UHFFFAOYSA-N |
| PubChem CID | 17833 |
| EC No. | 220-642-7 |
| DTXSID | DTXSID7062667 |
화학 및 물리적 성질
| XLogP | 3 |
|---|---|
| 극성 표면적 | 9.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 85 |
| Kovats Retention Index | 10721081108410801085109210681110.81126158215881604161816231628 |
| 녹는점 | 25°C |
| 끓는 점 | 193 °C (lit.) |
| 밀도 | 1.164 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.536(lit.) |
| 인화점 | 164 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 235mg/l |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| 비중 | 1.164 |
| 용해도 | 15g/L(25℃) |
| BRN | 2041497 |
| 헨리 상수 | 4.5×10-2 mol/(m3Pa) at 25℃, Pfeifer et al. (2001) |
| InChI | 1S/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3 |
| InChIKey | YUKILTJWFRTXGB-UHFFFAOYSA-N |
| SMILES | COc1cccc(Cl)c1 |
| NIST | Benzene, 1-chloro-3-methoxy-(2845-89-8) |
| EPA | Benzene, 1-chloro-3-methoxy- (2845-89-8) |
화학적 성질
CLEAR LIGHT YELLOW LIQUID
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.WarningH227 (20%): Combustible liquid [Warning Flammable liquids]H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (20%)Acute Tox. 4 (20%)Skin Irrit. 2 (80%)Eye Irrit. 2A (80%)STOT SE 3 (80%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29093090 |
| 위험 표시 | Xi |
| 안전 문구(S) | 23-24/25 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
3-Chloroanisole was employed as starting reagent in the regioselective synthesis of 4- and 7-alkoxyindoles. It was also employed as electrolyte additive for the overcharging protection of Li-ion cell.
일반 설명
One-step preparation of 3-chloroanisole from the corresponding 3-substituted nitrobenzene has been reported.