氟比洛芬相关物质A

alpha-Methyl(1,1'-biphenyl)-4-acetic acid

HCID 22810CAS 6341-72-6

子结构检索查找相似结构

基本信息

标准SMILES: CC(C(=O)O)c1ccc(-c2ccccc2)cc1
InChIKey: JALUUBQFLPUJMY-UHFFFAOYSA-N
分子式: C15H14O2
平均分子量: 226.27 g/mol
单同位素质量: 226.09937969

名称与标识

首选名称: alpha-Methyl(1,1'-biphenyl)-4-acetic acid
IUPAC: 2-(4-phenylphenyl)propanoic acid
中文名: 氟比洛芬相关物质A
英文名: alpha-Methyl-4-biphenylacetic acid
分子式: C15H14O2
分子量: 226.27

名称与别名

6341-72-6DTXSID901286408alpha-Methyl(1,1'-biphenyl)-4-acetic acidRefChem:1076522DTXCID70213261Biprofenalpha-Methyl-4-biphenylacetic acid2-([1,1'-Biphenyl]-4-yl)propanoic acid2-(4-phenylphenyl)propanoic acidBiprofen-d32-(4-Biphenylyl)propionic AcidFlurbiprofen EP Impurity A

展开更多名称

比洛芬联苯丙酸氟比洛芬25氟比洛芬EPA氟比洛芬酯杂质5氟比洛芬EP杂质A氟比洛芬相关物质A氟布洛芬EP杂质A氟比洛芬相关化合物A氟比洛芬杂质A(EP)(R)-2-([1,1'-biphenyl]-4-yl)propanoic acidLY-71130p-Phenylhydratropic Acidp-Phenylhydroatropic acidFlurbiprofen impurity A CRSFlurbiprofen EP impurity A -EFlurbiprofen axetil impurity5

Ly 71130MFCD001569442-(biphenyl-4-yl)propanoic acid(+/-)-2-(4-Biphenyl)propionic Acid(2RS)-2-(Biphenyl-4-yl)propanoic Acid2-(4-Biphenyl)propionic acid, (+/-)-CHEMBL3174342-Biphenyl-4-yl-propionic acid

数据库标识

CAS: 6341-72-6
PubChem CID: 22810
DTXSID: DTXSID901286408
ChEMBL: CHEMBL317434
UNII: V55W126F9Y
EC Number: 642-253-5
Nikkaji: J70.022C

性质

结构计算性质

XLogP: 3.5
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 3
重原子: 17
形式电荷: 0
复杂度: 248

物理化学性质

熔点: 168 · 168-169 °C
沸点: 388.3 · 388.3±21.0 °C(Predicted)
密度: 1.134 · 1.134±0.06 g/cm3(Predicted)
储存条件: 2 · 2-8°C
溶解度: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly, Heated)
形态: solid
酸度系数(pKa): 4.34 · 4.34±0.10(Predicted)
颜色: White to off-white
主要应用: pharmaceutical small molecule
InChI: 1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)
InChIKey: JALUUBQFLPUJMY-UHFFFAOYSA-N
SMILES: OC(=O)C(C)c1ccc(cc1)c2ccccc2

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P301+P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesAcute Tox. 3 (50%)

安全数据

wgk: WGK 3
存储类别: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
海关编码: 2916399000
危险性类别: Acute Tox. 3 Oral
危险品运输编号: UN 2811 6.1 / PGIII

化学与工业

试剂价格

XW634172601 · 5G: 2-（[1,1’-联苯] -4-基）丙酸 — 6936元

供应商50 家

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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