4'-ヒドロキシ[1,1'-ビフェニル]-4-カルボン酸エチル

Ethyl 4'-hydroxy-4-biphenylcarboxylate

HCID 4049156

ノート反応

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基本情報

CAS: 50670-76-3
標準SMILES: CCOC(=O)c1ccc(-c2ccc(O)cc2)cc1
InChIKey: FYXQIMAAEMCZLV-UHFFFAOYSA-N
分子式: C15H14O3
平均分子量: 242.27 g/mol
単同位体質量: 242.09429431

名称と識別子

優先名称: Ethyl 4'-hydroxy-4-biphenylcarboxylate
IUPAC: ethyl 4-(4-hydroxyphenyl)benzoate
現地名: 4'-ヒドロキシ[1,1'-ビフェニル]-4-カルボン酸エチル
英語名: Ethyl 4'-hydroxy-4-biphenylcarboxylate
分子式: C15H14O3
分子量: 242.27

名称と別名

Ethyl 4'-hydroxy-4-biphenylcarboxylateRefChem:595088626-818-350670-76-3Ethyl 4'-hydroxy-[1,1'-biphenyl]-4-carboxylateEthyl 4-(4-hydroxyphenyl)benzoateethyl 4'-hydroxy[1,1'-biphenyl]-4-carboxylateMFCD07809563G4LZS45VEEethyl 4'-hydroxybiphenyl-4-carboxylateDTXSID403987714-(4-hydroxyphenyl)benzoate ethylester

名称をさらに表示

4'-ヒドロキシ[1,1'-ビフェニル]-4-カルボン酸エチルエチル 4′-ヒドロキシ-4-ビフェニルカルボン酸Ethyl 4′-hydroxy-4-biphenylcarboxylate4'-Hydroxy-biphenyl-4-carboxylicacidethylester4Hydroxy-4-biphenyl-4-carboxylic acid ethyl ester

SS-3068SY100632[1,1'-Biphenyl]-4-carboxylic acid, 4'-hydroxy-, ethyl esterW13062Ethyl 4'-hydroxy(1,1'-biphenyl)-4-carboxylate4'-hydroxy-[1,1'-biphenyl]-4-carboxylic acid, ethyl ester4-(4-Ethoxycarbonylphenyl)phenol4'-Hydroxy-(1,1'-biphenyl)-4-carboxylic acid ethyl ester

データベース識別子

CAS: 50670-76-3
PubChem CID: 4049156
DTXSID: DTXSID40398771
UNII: G4LZS45VEE
EC Number: 626-818-3
Nikkaji: J1.260.706G

物性

構造計算による物性

XLogP: 4.1
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 18
形式電荷: 0
複雑度: 261

物理化学的性質

融点: 142 · 142-144 °C (dec.)(lit.)
沸点: 392 · 392.0±25.0 °C(Predicted)
比重(密度): 1.167 · 1.167±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 9.56 · 9.56±0.26(Predicted)
外見: Solid
色: White to light yellow
主な用途: 診断アッセイの製造血液学組織学
InChI: 1S/C15H14O3/c1-2-18-15(17)13-5-3-11(4-6-13)12-7-9-14(16)10-8-12/h3-10,16H,2H2,1H3
InChIKey: FYXQIMAAEMCZLV-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccc(cc1)-c2ccc(O)cc2

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.