3-브로모아니졸
3-브로모아니솔 · 3-브로모아니졸 · 1-BROMO-3-METHOXYBENZENE · META BROMO ANISOLE · 3-Methoxybromobenzene · M-BROMOANISOLE · 3-Methoxyphenyl bromide · M-Bro
식별자 및 물리적 특성
| CAS No. | 2398-37-0 |
|---|---|
| 분자식 | C7H7BrO |
| 평균 분자량 | 187.03 g/mol |
| 단동위원소 질량 | 185.96803 g/mol |
| SMILES | COc1cccc(Br)c1 |
| InChIKey | PLDWAJLZAAHOGG-UHFFFAOYSA-N |
| PubChem CID | 16971 |
| ChEMBL | CHEMBL3182998 |
| EC No. | 219-264-5 |
| DTXSID | DTXSID4044618 |
| 현지명 | 3-브로모아니졸 |
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 |
| 밀도 | 1.49 @25 °C1.490 g/mL at 20 °C |
| 끓는 점 | 211 °C @760 [mm Hg]210-211 °C(lit.) |
| 증기압 | 0.28 [mmHg]38.39Pa at 25℃ |
| Physical Description | Clear light yellow liquid[Sigma-Aldrich MSDS] |
| Kovats Retention Index | 11001149 |
| 녹는점 | 2 °C |
| 굴절률 | n20/D 1.563(lit.) |
| 인화점 | 200 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | DMSO(적게), 메탄올(약간)에 용해됨 |
| 물리적 상태 | 액체 |
| 비중 | 1.477 |
| 색상 | 투명한 무색~약간 황갈색 |
| pH | 5.5 (H2O, 20℃) |
| 용해도 | 메탄올, 벤젠, 헥산, 톨루엔 및 디클로로메탄에 섞입니다. 물에 거의 녹지 않습니다. |
| BRN | 1524687 |
| 헨리 상수 | 7.2×10-3 mol/(m3Pa) at 25℃, Pfeifer et al. (2001) |
| 안정성 | 안정적인. 타기 쉬운. 강산화제, 강산 환원제와 호환되지 않습니다. |
| InChI | 1S/C7H7BrO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3 |
| InChIKey | PLDWAJLZAAHOGG-UHFFFAOYSA-N |
| SMILES | COc1cccc(Br)c1 |
| LogP(분배 계수) | 3.03 |
| NIST | Benzene, 1-bromo-3-methoxy-(2398-37-0) |
| EPA | m-Bromoanisole (2398-37-0) |
화학적 성질
3-Bromoanisole, also known as m-Bromoanisole, is a clear colorless to pale yellow oily liquid. The boiling point is 210-211°C (100kPa), 105°C (2.13kPa), the relative density is 1.477, the refractive index is 1.5635, and the flash point is 93°C. It is soluble in alcohol, ether, benzene, and carbon disulfide, but insoluble in water. It is commonly used as a raw material for organic synthesis.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 9.4% (5 of 53) of reports.WarningH315 (26.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (26.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (11.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (83%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 5 of 53 reports by companies.There are 8 notifications provided by 48 of 53 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. |
|---|---|
| 규제 정보 | Status: Active Update: 25-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19332Status: Active Update: 13-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/231483-Bromoanisole: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | May cause irritation[Sigma-Aldrich MSDS] See Anisole. See 4-Bromoanisole. |
| Hazard Classes and Categories | Skin Irrit. 2 (26.4%)Eye Irrit. 2A (26.4%)STOT SE 3 (11.3%)Aquatic Chronic 3 (83%) |
| Protective Action Criteria (PAC) | 12 [mg/m3]130 [mg/m3]790 [mg/m3] |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29093038 |
| 위험 표시 | Xi |
| 안전 문구(S) | 23-24/25 |
| 기존화학 물질 | KE-03677 |
| F 고인화성물질 | 8 |
| 위험 참고 사항 | Irritant |
| 위험 등급 | Aquatic Chronic 3 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
3-Bromoanisole used in chemical reaction as intermediates to obtain target materials such as dyes, pharmaceuticals, perfumes, photoinitiators and agrochemicals.
제조 및 합성 방법
제조 방법
3-Bromoanisole is synthesized through a reaction between m-bromophenol and dimethyl sulfate. The synthesis method involves the following steps:Dissolve m-bromophenol in a sodium hydroxide solution.Slowly add dimethyl sulfate dropwise to the solution while stirring.Heat the mixture and allow it to react for 1 hour.Cool the reaction mixture to separate the colorless oil formed.Extract the water layer with ether.Dry the ether extract and then distill it to recover the ether.Distill the residue obtained after recovering the ether, along with the colorless oil, under reduced pressure.This distillation process results in the production of m-bromoanisole as the final product.The overall yield of m-bromoanisole achieved through this process is 90%.