3-Bromoanisole (HCID 16971)

이름 및 식별자

우선 이름: 3-Bromoanisole
IUPAC: 1-bromo-3-methoxybenzene
현지명: 3-브로모아니졸
영어명: 3-Bromoanisole
분자식: C7H7BrO
분자량: 187.03

이름 및 동의어

3-Bromoanisole2398-37-01-BROMO-3-METHOXYBENZENEm-Bromoanisole3-MethoxybromobenzeneBenzene, 1-bromo-3-methoxy-m-BromomethoxybenzeneAnisole, m-bromo-m-Methoxybromobenzene3-Methoxy-1-bromobenzenem-Bromophenyl methyl etherDTXSID4044618

이름 더 보기

3-브로모아니솔3-브로모아니졸META BROMO ANISOLE3-Methoxyphenyl bromideM-Bro3-BROMO ANISOL5-bromoanisole

NSC 822937ZO6TY38WYNSC-82293EINECS 219-264-5DTXCID2024618mBromoanisoleAnisole, mbromomBromomethoxybenzene

데이터베이스 식별자

CAS: 2398-37-0
PubChem CID: 16971
DTXSID: DTXSID4044618
ChEMBL: CHEMBL3182998
UNII: 7ZO6TY38WY
EC Number: 219-264-5
Nikkaji: J12.874K

물성

구조 계산 물성

XLogP: 3
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: 85

실험 및 물리화학적 성질

Density1.49 @25 °C

Boiling Point211 °C @760 [mm Hg]

Vapor Pressure0.28 [mmHg]

Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

Kovats Retention Index1100；1149

물리화학적 성질

녹는점: 2 °C · 2 °C
끓는 점: 210 · 210-211 °C(lit.)
밀도: 1.49 g/mL · 1.490 g/mL at 20 °C
증기압: 38.39 Pa · 38.39Pa at 25℃
굴절률: 20 · n20/D 1.563(lit.)
인화점: 200 °F · 200 °F
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(적게), 메탄올(약간)에 용해됨
물리적 상태: 액체
Specific Gravity: 1.477 · 1.477
색상: 투명한 무색~약간 황갈색
수소이온지수(pH): 5.5 · 5.5 (H2O, 20℃)
수용성: 메탄올, 벤젠, 헥산, 톨루엔 및 디클로로메탄에 섞입니다. 물에 거의 녹지 않습니다.
BRN: 1524687 · 1524687
Henry's Law Constant: 7.2 · 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: 3.03 · 3.03
NIST: 1 · Benzene, 1-bromo-3-methoxy-(2398-37-0)
EPA: m-Bromoanisole (2398-37-0)

화학적 성질 · 1건

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

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 9.4% (5 of 53) of reports.

Warning

H315 (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 exposure; Respiratory 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.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 25-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19332；Status: Active Update: 13-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23148

3-Bromoanisole: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Anisole. See 4-Bromoanisole.

Hazard Classes and CategoriesSkin Irrit. 2 (26.4%)；Eye Irrit. 2A (26.4%)；STOT SE 3 (11.3%)；Aquatic Chronic 3 (83%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

규제 정보

Regulatory Information · 2건

Status: Active Update: 25-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19332；Status: Active Update: 13-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23148

3-Bromoanisole: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29093038
hazard_code: Xi
safety_code: 23-24/25
기존화학 물질: KE-03677
F 고인화성물질: 8
위험 참고 사항: Irritant
Hazard Classifications: Aquatic Chronic 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-bromo-3-methoxy-: ACTIVE

응용 분야

용도3-Bromoanisole used in chemical reaction as intermediates to obtain target materials such as dyes, pharmaceuticals, perfumes, photoinitiators and agrochemicals.

제조 방법 · 1건

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%.

공급사50 곳

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

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

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

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

연결된 노트

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3-브로모아니졸

기본 정보