p-브로모아니졸
4-Bromoanisole
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기본 정보
- CAS
104-92-7- 표준 SMILES
COc1ccc(Br)cc1- InChIKey
QJPJQTDYNZXKQF-UHFFFAOYSA-N- 분자식
- C7H7BrO
- 평균 분자량
- 187.03 g/mol
- 단동위원소 질량
- 185.96802694
개요
4-bromoanisole is a monomethoxybenzene carrying a bromo substituent at position 4. It is a monomethoxybenzene and an organobromine compound.
이름 및 식별자
- 우선 이름
- 4-Bromoanisole
- IUPAC
- 1-bromo-4-methoxybenzene
- 현지명
- p-브로모아니졸
- 영어명
- 4-Bromoanisole
- 분자식
- C7H7BrO
- 분자량
- 187.03
이름 및 동의어
4-BROMOANISOLE1-Bromo-4-methoxybenzene104-92-7p-Bromoanisole4-MethoxybromobenzeneBenzene, 1-bromo-4-methoxy-Anisyl bromidep-Anisyl bromide4-Methoxyphenyl bromidep-Bromanisolep-Methoxyphenyl bromideAnisole, p-bromo-
이름 더 보기
4-브로모아니졸p-브로모아니졸4-브로모아닐솔2-Bromoanisole,98%4-Bromoanisole,98%1-bromo-4-methoxy-benzen4-Bromoanisole,1-Bromo-4-methoxybenzenep-bromoanisolp-bromo-anisol
p-Methoxybromobenzene4-Methoxy-1-bromobenzenep-Bromophenyl methyl ether4-Bromoanisolpara-bromoanisole4-bromo-1-methoxybenzene4-anisyl bromidep-Bromomethoxybenzene
데이터베이스 식별자
- CAS
104-92-7- PubChem CID
- 7730
- DTXSID
DTXSID2059308- ChEBI
CHEBI:47257- UNII
- U430F901J9
- EC Number
- 203-252-1
- Nikkaji
- J5.038E
물성
구조 계산 물성보충 중
- XLogP
- 2.8
- 극성 표면적
- 9.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 77
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Halogenated Anisoles
SpringerMaterials PropertiesBoiling point
LogP3.15
Physical DescriptionClear light yellow liquid; mp = 9-10 deg C; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 9 · 9-10 °C (lit.)
- 끓는 점
- 223 °C · 223 °C (lit.)
- 밀도
- 1.494 g/mL · 1.494 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.564(lit.)
- 인화점
- 202 °F · 202 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 클로로포름(적게), 에틸아세테이트(약간)에 용해됨
- 물리적 상태
- 액체
- 색상
- 무색투명~미황색
- 수용성
- 섞일 수 없음
- Merck
- 14 · 14,1428
- BRN
- 1237590 · 1237590
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 3.3% (4 of 123) of reports.
Warning
H315 (12.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P260, P264, P273, P280, P302+P352, P319, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 123 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzene, 1-bromo-4-methoxy-
Status: Active Update: 23-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11455
Benzene, 1-bromo-4-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
Causes ataxia, coma, and cough in inhalation lethal-concentration studies of mice; Causes tetany in oral lethal-dose studies of mice and rats; [RTECS] A skin irritant; Harmful by ingestion; [ECHA REACH Registrations] May cause irritation; [Sigma-Aldrich MSDS] See Anisole.
Hazard Classes and CategoriesSkin Irrit. 2 (12.2%)
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (mouse) = 20 mg/m3
안전 데이터
- wgk
화학 및 산업
용도 및 제조
UsesUsed in closed process manufacturing; [ECHA REACH Registrations]
General Manufacturing InformationBenzene, 1-bromo-4-methoxy-: ACTIVE
응용 분야
용도4-Bromoanisole finds application as an intermediate in synthetic chemistry. It is used in the preparation of aryl 1,3-diketones and ethyl 4-methoxycinnamate. It is a used as a brominating reagent. Further, it is used in Suzuki coupling reaction with phenylboronic acid as well as in Heck reaction.
일반 설명4-Bromoanisole is a useful brominating reagent. It is formed as reaction product in the reaction between HOBr and anisole. Suzuki coupling of 4-bromoanisole with phenylboronic acid catalyzed by palladium pincer complexes has been studied. Heck Reaction of 4-bromoanisole with ethyl acrylates in room-temperature ionic liquids is reported to afford ethyl 4-methoxycinnamate.
제조 방법
4-Bromoanisole is obtained by reacting p-bromophenol with dimethyl sulfate.
상·하류 제품 정보
상류 원료
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