4-Bromoanisole (HCID 7730)

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 물성

XLogP: 2.8
극성 표면적: 9.2 Å²
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
Henry's Law Constant: 1.1 · 1.1×10-2 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
Dielectric constant: 7.4 · 7.4000000000000004
안정성: 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI: 1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey: QJPJQTDYNZXKQF-UHFFFAOYSA-N
SMILES: COc1ccc(Br)cc1
NIST: 1 · Benzene, 1-bromo-4-methoxy-(104-92-7)
EPA: 1 · Benzene, 1-bromo-4-methoxy- (104-92-7)

화학적 성질 · 1건

4-Bromoanisole is a colourless to pale yellow oily liquid with a pleasant smell similar to that of anise seed. Insoluble in water, soluble in ethanol, ether and chloroform. It is one of three isomers of bromoanisole, the others being 3-bromoanisole and 2-bromoanisole. It is the precursor to many 4-anisyl derivatives.

안전 및 규제

GHS 분류

GHS Classification · 5건

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 · 3건

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 · 1건

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: 2
tsca: TSCA listed
rtecs: BZ8501000
독성: LD50 orl-mus: 2200 mg/kg GISAAA 44(12),19,79
HS 번호: 29093038
hazard_code: Xn
safety_code: 23-24/25
F 고인화성물질: 8
Hazard Classifications: Acute Tox. 4 OralSkin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

UsesUsed in closed process manufacturing; [ECHA REACH Registrations]

General Manufacturing InformationBenzene, 1-bromo-4-methoxy-: ACTIVE

응용 분야 · 2건

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.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

盐城市胜达化工有限公司0515-83072966 13016507129

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

추가 설명

정의ChEBI: 4-bromoanisole is a monomethoxybenzene carrying a bromo substituent at position 4. It is a monomethoxybenzene and an organobromine compound.

연결된 노트

불러오는 중…

p-브로모아니졸

기본 정보

개요