2-Bromo-4-methylanisole (HCID 89143)

이름 및 식별자

우선 이름: 2-Bromo-4-methylanisole
IUPAC: 2-bromo-1-methoxy-4-methylbenzene
현지명: 3-브로모-4-메톡시톨루엔
영어명: 3-Bromo-4-methoxytoluene
분자식: C8H9BrO
분자량: 201.06

이름 및 동의어

3-Bromo-4-methoxytoluene2-Bromo-4-methylanisoleHUX4EC3EUDBenzene, 2-bromo-1-methoxy-4-methyl-DTXSID5066746EINECS 244-705-31-BROMO-2-METHOXY-5-METHYLBENZENERefChem:85736DTXCID2036588244-705-3DHPUIKWBNXTXOB-UHFFFAOYSA-N22002-45-5

이름 더 보기

3-브로모-4-메톡시톨루엔m-Bromo-p-methoxytoluene2-Bromo-4-methylanisole 98%3-Bromo-4-methoxytoluene >3-Bromo-4-methoxytoluene 98%2-bromo-1-methoxy-4-methyl-benzen2-Bromo-4-methyl-1-methoxybenzene1-Methoxy-2-bromo-4-methylbenzene

2-Bromo-1-methoxy-4-methylbenzeneBenzene,2-bromo-1-methoxy-4-methyl-3-bromo-4-methoxy tolueneAnisole, 2-bromo-4-methyl-MFCD000177834-methyl-2-bromoanisoleUNII-HUX4EC3EUD2-Bromo-4-methyl anisole

데이터베이스 식별자

CAS: 22002-45-5
PubChem CID: 89143
DTXSID: DTXSID5066746
UNII: HUX4EC3EUD
EC Number: 244-705-3
Nikkaji: J32.079J

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 105

물리화학적 성질

녹는점: 15.5 °C · 15.5 °C(lit.)
끓는 점: 124 · 124-125 °C20 mm Hg(lit.)
밀도: 1.392 g/mL · 1.392 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.565(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.41 · 1.41
색상: Clear, dark yellow to brown
InChI: InChI=1S/C8H9BrO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3
InChIKey: DHPUIKWBNXTXOB-UHFFFAOYSA-N
SMILES: C1(OC)=CC=C(C)C=C1Br
EPA: 2 · 2-Bromo-4-methylanisole (22002-45-5)

화학적 성질

Clear colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, 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 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)；Eye Irrit. 2 (97.7%)；STOT SE 3 (95.5%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 2909309090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 2-bromo-1-methoxy-4-methyl-: INACTIVE

응용 분야 · 2건

용도2-Bromo-4-methylanisole may be used in the synthesis of:1,6-bis(2-hydroxy-5-methylphenyl)pyridine (H2mdppy)1,8-dimethoxy-4-methylanthra-quinoneethyl 2-(2-methoxy-5-methylphenyl)-2-methyl-4-oxocyclopentanecarboxylateIt may be used as starting material in the multi-step synthesis of sesquiterpene (±)-herbertenolide.

일반 설명2-Bromo-4-methylanisole can be prepared via bromination of 4-methylanisole using poly(4-vinylpyridinium bromochromate).