4-(2-ブロモエトキシ)安息香酸メチル

Methyl 4-(2-bromoethoxy)benzoate

HCID 1898264

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基本情報

CAS: 56850-91-0
標準SMILES: COC(=O)c1ccc(OCCBr)cc1
InChIKey: RVBJPYYTGUCVFR-UHFFFAOYSA-N
分子式: C10H11BrO3
平均分子量: 259.1 g/mol
単同位体質量: 257.98916

名称と識別子

優先名称: Methyl 4-(2-bromoethoxy)benzoate
IUPAC: methyl 4-(2-bromoethoxy)benzoate
現地名: 4-(2-ブロモエトキシ)安息香酸メチル
英語名: Methyl 4-(2-bromoethoxy)benzenecarboxylate
分子式: C10H11BrO3
分子量: 259.1

名称と別名

methyl 4-(2-bromoethoxy)benzoate56850-91-0DTXSID40365504RefChem:355338DTXCID70316544Methyl 4-(2-bromoethoxy)benzenecarboxylateMFCD01877551Benzoic acid,4-(2-bromoethoxy)-, methyl esterSCHEMBL63216RVBJPYYTGUCVFR-UHFFFAOYSA-Nmethyl 4-(2-bromoethoxy)-benzoateGCA85091

名称をさらに表示

4-(2-ブロモエトキシ)安息香酸メチル4-(2-ブロモエトキシ)ベンゼンカルボン酸メチル

SBB102131STL326170AKOS005072755CS-W018361GA-08082-(4-methoxycarbonylphenoxy)ethyl bromideSY337246Methyl 4-(2-broMoethoxy)benzoate, 97+%

データベース識別子

CAS: 56850-91-0
PubChem CID: 1898264
DTXSID: DTXSID40365504
EC Number: 676-604-9

物性

構造計算による物性

XLogP: 3
極性表面積: 35.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 14
形式電荷: 0
複雑度: 176

物理化学的性質

融点: 67 · 67-69
沸点: 333.4 · 333.4±22.0 °C(Predicted)
比重(密度): 1.431 · 1.431±0.06 g/cm3(Predicted)
外見: Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 5 reports by companies from 2 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.