2-(4-フェノキシフェニル)酢酸

4-Phenoxyphenylacetic acid

HCID 239077

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 6328-74-1
標準SMILES: O=C(O)Cc1ccc(Oc2ccccc2)cc1
InChIKey: VARVNFDGRLLTCI-UHFFFAOYSA-N
分子式: C14H12O3
平均分子量: 228.24 g/mol
単同位体質量: 228.07864424

名称と識別子

優先名称: 4-Phenoxyphenylacetic acid
IUPAC: 2-(4-phenoxyphenyl)acetic acid
現地名: 2-(4-フェノキシフェニル)酢酸
英語名: 4-PHENOXYPHENYLACETIC ACID
分子式: C14H12O3
分子量: 228.24

名称と別名

4-Phenoxyphenylacetic acidRefChem:526291626-215-56328-74-12-(4-Phenoxyphenyl)acetic acid(4-phenoxyphenyl)acetic acid(4-phenoxy-phenyl)-acetic acidMFCD000797794-PhenoxyphenylaceticAcid4-(phenoxy)phenylacetic acidp-Phenyloxyphenylacetic Acid4-phenoxy-phenylacetic acid

名称をさらに表示

2-(4-フェノキシフェニル)酢酸4-フェノキシフェニル酢酸P-フェノキシフェニル酢酸NSC 43857RARECHEM AL BO 15214-PHENOXYPHENYLACETICp-Phenoxyphenylacetic Acid4-Phenoxybenzeneacetic Acid4-Phenoxyphenylethanoic acid4-Phenoxyphenylacetic acid 97%

(4'-phenoxyphenyl)acetic acid(4phenoxy-phenyl)-acetic acidAKOS002392972Benzeneacetic acid, 4-phenoxy-NSC43857SCHEMBL1145770DTXSID809793614-Phenoxyphenylacetic acid, 97%

データベース識別子

CAS: 6328-74-1
PubChem CID: 239077
DTXSID: DTXSID80979361
EC Number: 626-215-5

物性

構造計算による物性

XLogP: 3
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: 17
形式電荷: 0
複雑度: 238

物理化学的性質

融点: 72 · 72-79 °C
沸点: 382 ℃ · 382℃
比重(密度): 1.217 · 1.217
屈折率: 1.58 · 1.5800 (estimate)
闪点: 146 ℃ · 146℃
貯蔵温度: Sealed in dry,Room Temperature
外見: solid
酸解離定数(Pka): 4.34 · 4.34±0.10(Predicted)
InChI: 1S/C14H12O3/c15-14(16)10-11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
InChIKey: VARVNFDGRLLTCI-UHFFFAOYSA-N
SMILES: OC(=O)Cc1ccc(Oc2ccccc2)cc1
CAS データベース: 6328 · 6328-74-1(CAS DataBase Reference)

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, 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. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)

安全データ

wgk: 2
ridadr: UN 3077 9/PG 3
hs_code: 29189900
risk_code: 22-50
hazard_code: Xn,N,Xi
safety_code: 60-61
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Sens. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用4-PHENOXYPHENYLACETIC ACID is an arylaliphatic acid used in the preperation of protential inhibitors of collagen-induced aggregation of human thrombocytes. p-Phenyloxyphenylacetic Acid is a predicted metabolite of 6-Amino-4-(4-phenoxyphenylethylamino)quinazoline.