2-メトキシベンジルクロリド

2-(Chloromethyl)anisole

HCID 81495

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 7035-02-1
標準SMILES: COc1ccccc1CCl
InChIKey: UAWVMPOAIVZWFQ-UHFFFAOYSA-N
分子式: C8H9ClO
平均分子量: 156.61 g/mol
単同位体質量: 156.03419259

名称と識別子

優先名称: 2-(Chloromethyl)anisole
IUPAC: 1-(chloromethyl)-2-methoxybenzene
現地名: 2-メトキシベンジルクロリド
英語名: 2-Methoxybenzyl chloride
分子式: C8H9ClO
分子量: 156.61

名称と別名

2-Methoxybenzyl chloride7035-02-12-(Chloromethyl)anisoleo-Methoxybenzyl chlorideBenzene, 1-(chloromethyl)-2-methoxy-DTXSID80220628EINECS 230-312-4RefChem:460353DTXCID10143119230-312-41-(Chloromethyl)-2-methoxybenzene2-methoxybenzylchloride

名称をさらに表示

2-メトキシベンジルクロリド1-(クロロメチル)-2-メトキシベンゼン塩化2-メトキシベンジル2-メトキシベンジルクロライド1-メトキシ-2-(クロロメチル)ベンゼンo-Methoxybenzylchloride2-Methoxybenzyl chloride ,98%2-Methoxybenzyl chloride, stabilized, 98%2-Methoxybenzyl chloride, 98%, stabilized2-Methoxybenzyl chloride, 98%, for synthesis2-Methoxybenzyl chloride2-(Chloromethyl)anisole

1-(Chloromethyl)-2-methoxy-benzeneMFCD00060276o-anisyl chlorideChloromethylanisole2-methoxy benzyl chloride2-methoxy-benzyl chlorideortho-methoxybenzylchlorideAnisole, o-(chloromethyl)-

データベース識別子

CAS: 7035-02-1
PubChem CID: 81495
DTXSID: DTXSID80220628
UNII: EU25Y8M35F
EC Number: 230-312-4
Nikkaji: J227.344F

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: 95.3

物理化学的性質

融点: 28.3 · 28.3-29.8 °C(lit.)
沸点: 122 · 122-124 °C26 mm Hg(lit.)
比重(密度): 1.125 g/mL · 1.125 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.549(lit.)
闪点: 210 °F · 210 °F
貯蔵温度: Refrigerator (+4°C)
CAS データベース: 7035 · 7035-02-1(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1-(chloromethyl)-2-methoxy-(7035-02-1)

化学的性質

化学的特性Clear colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationBenzene, 1-(chloromethyl)-2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

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

安全データ

wgk: 3
ridadr: UN 3261 8/PG 3
hs_code: 29093090
risk_code: 34
hazard_code: C
safety_code: 26-27-36-45-36/37/39
hazard_class: CORROSIVE

化学と産業

応用分野 · 1 件

使用1-(Chloromethyl)-2-methoxy-benzene is used in the synthesis of indole derivatives in the preparation of anti-cancer agents. Also used to synthesize potent and selective antagonists for the receptor CX3XR1 involved in the treatment of multiple sclerosis.