4-Methyloxybenzyl chloride (HCID 69993)

名称と識別子

優先名称: 4-Methyloxybenzyl chloride
IUPAC: 1-(chloromethyl)-4-methoxybenzene
現地名: 4-メトキシベンジルクロリド
英語名: 4-Methoxybenzylchloride
分子式: C8H9ClO
分子量: 156.61

名称と別名

4-Methoxybenzyl chloride824-94-21-(Chloromethyl)-4-methoxybenzenep-Methoxybenzyl chloridep-Anisyl chloride4-(Chloromethyl)anisolep-(Chloromethyl)anisoleBenzene, 1-(chloromethyl)-4-methoxy-alpha-Chloro-4-methoxytolueneAnisole, p-(chloromethyl)-4-Methyloxybenzyl chlorideCCRIS 5108

名称をさらに表示

4-メトキシベンジルクロリドp-メトキシベンジルクロリドp-アニシルクロリド1-クロロメチル-4-メトキシベンゼン(4-メトキシベンジル)クロリド4-メトキシ-1-(クロロメチル)ベンゼン1-メトキシ-4-(クロロメチル)ベンゼン1-(クロロメチル)-4-メトキシベンゼンp-クロロメチルアニソール4-(クロロメチル)アニソールアニシルクロリド4‐メトキシベンジルクロリド4-(クロロメチル)アニゾール塩化4-メトキシベンジルPMBClPBMCl4-Methoxybenzylchloride, stabilized, 98% 5GR

.alpha.-Chloro-4-methoxytoluene4-(chloromethyl)-1-methoxybenzeneEINECS 212-540-6NSC 172955Q500ZS03TI4-(chloromethyl)phenyl methyl etherNSC-1729551-(chloromethyl)-4-(methyloxy)benzene

データベース識別子

CAS: 824-94-2
PubChem CID: 69993
DTXSID: DTXSID20231718
UNII: Q500ZS03TI
EC Number: 212-540-6
Nikkaji: J32.082J

物性

構造計算による物性

XLogP: 2.4
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: 2
重原子数: 10
形式電荷: 0
複雑度: 87

物理化学的性質

融点: 1 °C · −1 °C(lit.)
沸点: 117 · 117-118 °C14 mm Hg(lit.)
比重(密度): 1.155 g/mL · 1.155 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.548(lit.)
闪点: 229 °F · 229 °F
貯蔵温度: 2 · Inert atmosphere,2-8°C
溶解性: Chloroform (Slightly), Ethyl Acetate (Slightly)
外見: 液体
色: 無色透明～淡黄色
水溶解度: ゆっくり分解する
安定性: Moisture Sensitive
InChI: InChI=1S/C8H9ClO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
InChIKey: MOHYOXXOKFQHDC-UHFFFAOYSA-N
SMILES: C1(CCl)=CC=C(OC)C=C1
CAS データベース: 824 · 824-94-2(CAS DataBase Reference)
NISTの化学物質情報: -4 · «alpha»-Chloro-4-methoxytoluene(824-94-2)

化学的性質

化学的特性Colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory.；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

Regulatory InformationBenzene, 1-(chloromethyl)-4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

CSL Reaction Information · 6 件

CSL00029

p-methoxybenzyl Chloride

PMB Chloride Explosion

Self-Reactive

Benzyl halide

L (>100g)

法規制情報

Regulatory InformationBenzene, 1-(chloromethyl)-4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 10-19-21
wgk: 3
tsca: No
ridadr: UN 3265 8/PG 3
hs_code: 29093090
risk_code: 34
消防法: 危-4-3-III
hazard_code: C
hazard_note: Corrosive
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: III
自然発火温度: 109℃
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 2 件

使用4-Methoxybenzylchloride is used in a synthesis of diarymethanes via Suzuki cross-coupling with postassium aryltrifluoroborates. It is also an O/N protecting group reagent which can be mildly oxidatively cleaved, e.g., with ceric ammonium nitrate.

一般的な説明4-Methoxybenzyl chloride undergoes mild oxidative claevage with ceric ammonium nitrate.

調製方法 · 1 件

純化方法Purify 4-anisyl chloride by fractional distillation under vacuum, and the middle fraction is redistilled at 10-6 mm at room temperature by intermittent cooling of the receiver in liquid N2, and the middle fraction is collected. [Mohammed & Kosower J Am Chem Soc 93 2709 1971, Beilstein 6 IV 2137.]