2-Bromo-4-methylanisole (HCID 89143)

名称と識別子

優先名称: 2-Bromo-4-methylanisole
IUPAC: 2-bromo-1-methoxy-4-methylbenzene
現地名: 3-ブロモ-4-メトキシトルエン
英語名: 3-Bromo-4-methoxytoluene
分子式: C8H9BrO
分子量: 201.06

名称と別名

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

名称をさらに表示

3-ブロモ-4-メトキシトルエン2-ブロモ-1-メトキシ-4-メチルベンゼン1-メチル-3-ブロモ-4-メトキシベンゼンメチル(2-ブロモ-4-メチルフェニル)エーテル1-メトキシ-2-ブロモ-4-メチルベンゼン2-ブロモ-4-メチル-1-メトキシベンゼン2-ブロモ-4-メチルアニソールm-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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.1
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 105

物理化学的性質

融点: 15.5 °C · 15.5 °C(lit.)
沸点: 124 · 124-125 °C20 mm Hg(lit.)
比重(密度): 1.392 g/mL · 1.392 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.565(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: liquid
比重: 1.41 · 1.41
色: 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
CAS データベース: 22002 · 22002-45-5(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Bromo-4-methylanisole (22002-45-5)

化学的性質

化学的特性Clear colourless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 2909309090
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

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

応用分野 · 2 件

使用2-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.

一般的な説明2-Bromo-4-methylanisole can be prepared via bromination of 4-methylanisole using poly(4-vinylpyridinium bromochromate).