靛红联二甲酚

2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-

HCID 162076CAS 47465-97-4

子结构检索查找相似结构

基本信息

标准SMILES: Cc1cc(C2(c3ccc(O)c(C)c3)C(=O)Nc3ccccc32)ccc1O
InChIKey: ZEKCYPANSOJWDH-UHFFFAOYSA-N
分子式: C22H19NO3
平均分子量: 345.4 g/mol
单同位素质量: 345.13649347

概述

3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one is a member of indoles.

名称与标识

首选名称: 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-
IUPAC: 3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one
中文名: 靛红联二甲酚
英文名: 3,3-Bis(3-methyl-4-hydroxyphenyl)indoline-2-on
分子式: C22H19NO3
分子量: 345.39

名称与别名

2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-RefChem:48428447465-97-4Isatin Bis-cresol3,3-Bis(4-hydroxy-3-methylphenyl)indolin-2-one3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one1,3-Dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-2H-indol-2-one3,3-Bis(3-methyl-4-hydroxyphenyl)indoline-2-on1,3-Dihydro-3,3-bis(4-hydroxy-m-tolyl)-2H-indol-2-one3,3-Bis(4-hydroxy-3-methylphenyl)-1,3-dihydro-2H-indol-2-oneMLS000570994SMR000187058

展开更多名称

靛红双甲酚靛红联二甲酚双羟基苯基靛红乙腈中靛红联二甲酚3,3-双(4-羟基-3-甲基苯基)吲哚啉-2-酮3,3-双(4-羟基-3-甲基苯基)二氢吲哚-2-酮1,3-二氢-3,3-双(4-羟基-3-甲苯基)-2H-吲哚-2-酮IBK3,3-Bis(3-methyl-4-hydroxyphenyl)indoline-2-one3,3-Bis(4-hydroxy-3-methylphenyl)indoline-2-one3,3-bis(2-hydroxy-5-methylphenyl)-1H-indol-2-one1,3-DIHYDRO-3,3-BIS(4-HYDROXY-3-METHYLPHENYL)-2H-I

Isatin biscresol3,3-Bis(3-methyl-4-hydroxyphenyl)-2-indolinoneIsatin-bis-cresolEINECS 256-318-71,3-Dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-2H-indol-2-one; 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-; 3,3-Bis(3-methyl-4-hydroxyphenyl)-2-indolinoneMFCD00484556Isatin-bis-cresol=IBK8JKQ5E4TXE

数据库标识

CAS: 47465-97-4
PubChem CID: 162076
DTXSID: DTXSID1052119
ChEMBL: CHEMBL1589652
ChEBI: CHEBI:107976
UNII: 8JKQ5E4TXE
EC Number: 256-318-7
Nikkaji: J422.505H

性质

结构计算性质

XLogP: 4
极性表面积: 69.6 Å²
氢键供体: 3
氢键受体: 3
可旋转键: 2
重原子: 26
形式电荷: 0
复杂度: 509

实验与物化性质

Endocrine DisruptorsPotential endocrine disrupting compound

Collision Cross Section185.4 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1052119]

物理化学性质

熔点: 250 · 250-251°C
沸点: 560.4 · 560.4±50.0 °C(Predicted)
密度: 1.292 · 1.292±0.06 g/cm3(Predicted)
储存条件: 2 · 2-8°C
溶解度: DMSO (Slightly), Methanol (Slightly)
酸度系数(pKa): 9.81 · 9.81±0.35(Predicted)
形态: Solid
颜色: White to Off-White
CAS 数据库: 47465 · 47465-97-4(CAS DataBase Reference)
EPA化学物质信息: 2 H-Indol-2-one, · 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)- (47465-97-4)

安全与法规

危害信息

Regulatory Information2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

安全数据

tsca: TSCA listed
安全说明: 36/37
海关编码: 29349990
危险类别码: 20/21/22
危险品运输编号: 2811

化学与工业

用途与制造

General Manufacturing Information2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-: ACTIVE

上下游产品信息

上游原料

靛红邻甲酚醋酸

供应商20 家

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

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