4'-羟基联苯-4-羧酸

4'-Hydroxy-4-biphenylcarboxylic acid

HCID 301556CAS 58574-03-1

子结构检索查找相似结构

基本信息

标准SMILES: O=C(O)c1ccc(-c2ccc(O)cc2)cc1
InChIKey: JTGCXYYDAVPSFD-UHFFFAOYSA-N
分子式: C13H10O3
平均分子量: 214.22 g/mol
单同位素质量: 214.06299418

名称与标识

首选名称: 4'-Hydroxy-4-biphenylcarboxylic acid
IUPAC: 4-(4-hydroxyphenyl)benzoic acid
中文名: 4'-羟基联苯-4-羧酸
英文名: 4'-Hydroxy-4-biphenylcarboxylic acid
分子式: C13H10O3
分子量: 214.22

名称与别名

58574-03-14'-Hydroxy-4-biphenylcarboxylic acidDTXSID60306717RefChem:506142DTXCID90257844628-295-7InChI=1/C13H10O3/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,14H,(H,15,164-(4-Hydroxyphenyl)benzoic acid4'-Hydroxy-[1,1'-biphenyl]-4-carboxylic acid4'-Hydroxybiphenyl-4-carboxylic Acid4-Hydroxy-4'-biphenylcarboxylic acidMFCD00059078

展开更多名称

联苯酚羧酸羟基联苯甲酸对羟基联苯甲酸4-羟基联苯甲酸-羟基联苯-4-羧酸4-羟基-4-联苯羧酸4-羟基联苯-4-羧酯4-氧二苯基-4-羧酸4-羟基-4`-羧酸联-羟基联苯基-4-羧酸AKOS BAR-1038RARECHEM AL BO 05374'-Hydroxy-4-biphenyL4-(4-CARBOXYPHENYL)-PHENOL4'-Hydroxy-4-biphenylcarbox4-(4-hydroxycyclohexyl)benzoate

[1,1'-Biphenyl]-4-carboxylic acid, 4'-hydroxy-4'-Hydroxy biphenyl-4-carboxylic acid4'-Hydroxy[1,1'-biphenyl]-4-carboxylic acid4-Hydroxybiphenyl-4'-carboxylic acid4'-Hydroxy-biphenyl-4-carboxylic acidCHEMBL905224-(4'-hydroxyphenyl)benzoic acidNSC179419

数据库标识

CAS: 58574-03-1
PubChem CID: 301556
DTXSID: DTXSID60306717
ChEMBL: CHEMBL90522
EC Number: 628-295-7
Nikkaji: J208.616F

性质

结构计算性质

XLogP: 3.2
极性表面积: 57.5 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 2
重原子: 16
形式电荷: 0
复杂度: 236

物理化学性质

熔点: 295 °C · 295 °C (dec.)(lit.)
沸点: 314.35 °C · 314.35°C (rough estimate)
密度: 1.1956 · 1.1956 (rough estimate)
折射率: 1.509 · 1.5090 (estimate)
储存条件: Sealed in dry,Room Temperature
溶解度: almost transparency in hot Methanol
酸度系数(pKa): 4.29 · 4.29±0.10(Predicted)
形态: Liquid or Solid
颜色: Clear colorless to yellow
主要应用: diagnostic assay manufacturinghematologyhistology
InChI: 1S/C13H10O3/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,14H,(H,15,16)
InChIKey: JTGCXYYDAVPSFD-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc(cc1)-c2ccc(O)cc2
CAS 数据库: 58574 · 58574-03-1(CAS DataBase Reference)

化学性质

4'-羟基联苯-4-羧酸为无色到浅黄色结晶固体，在常温下稳定，极溶于有机溶剂如乙醇、二甲基甲酰胺和二氯甲烷，稍溶于水。

安全与法规

GHS分类

GHS Classification · 4 条

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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全数据

wgk: 3
存储类别: 11 - Combustible Solids
安全说明: 26-37/39-37
海关编码: 29163990
危险品标志: Xi
危险类别码: 36/37/38-37/38-36

化学与工业

应用领域

应用4'-羟基联苯-4-羧酸是一种白色粉末状的化工中间体。在化工领域，它是多种重要化学品的合成的基体。但是同时由于4'-羟基联苯-4-羧酸能够严重刺激人体的眼睛、皮肤以及呼吸道，因此4'-羟基联苯-4-羧酸也是一种有毒性的粉末状化工中间体。

上下游产品信息

下游产品

4'-羟基-4-联苯基羧酸甲酯 4-(戊氧基)-4'-联苯羧酸

试剂价格

B21946 · 2.5g: 4'-羟基联苯基-4-羧酸, 99%4'-Hydroxybiphenyl-4-carboxylic acid, 99% — 557元
H0695 · 5G: 4-(4-羟苯基)苯甲酸4-(4-Hydroxyphenyl)benzoic Acid — 420元