2,2',2'',2'''-{(3-Oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylenenitrilo]}tetraacetic acid（CAS号：2411-89-4）

邻甲酚酞络合剂

基本信息

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CAS号

2411-89-4

分子式

C32H32N2O12

分子量

636.61 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

熔点

181-185 °C (dec.)

沸点

892.1°C at 760 mmHg

密度

1.5150

溶解度

NaOH: soluble50mg/mL

SMILES

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CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C32H32N2O12/c1-17-7-21(9-19(29(17)43)11-33(13-25(35)36)14-26(37)38)32(24-6-4-3-5-23(24)31(45)46-32)22-8-18(2)30(44)20(10-22)12-34(15-27(39)40)16-28(41)42/h3-10,43-44H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)

InChIKey

IYZPEGVSBUNMBE-UHFFFAOYSA-N

LogP

2.1193399999999993

pKa

1.47, 8.24(at 25℃)

拓扑极性表面积

222.43999999999997 Å²

氢键供体/受体

6 / 14

复杂度

1050

安全信息

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危险说明

H302 吞咽有害
急性毒性-经口

H315 造成皮肤刺激
皮肤腐蚀/刺激

H319 造成严重眼刺激
严重眼损伤/眼刺激

H335 可能造成呼吸道刺激
特定目标器官毒性-单次接触；呼吸道刺激

稳定性

Stable. Incompatible with strong oxidizing agents.

敏感性

heat-sensitive

同义词与引用数据

英文

3,3'-BIS(N,N-BIS(CARBOXYMETHYL)AMINOMETHYL)-O-CRESOLPHTHALEIN
o-Cresolphthalexon
J-610053
Phthalate complexing agent [Chelation indicator]
HY-W110896
Phenolphthalein,3''-bis[[bis(carboxymethyl)amino]methyl]-5',5''-dimethyl-
3,N-di(carboxymethyl)aminomethyl]-o-cresolphthalein
DTXSID5062392
Glycine, N,N'-((3-oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-
Cresolphthalexon
N,N'-((3-Oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)glycine
Metal phthalein
NSC-298195
Glycine,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-
Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-
AKOS015903248
NSC 298195
Glycine,N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-
Xylenylphthalein-bisiminodiacetic acid
A4P6737I7F
EINECS 219-318-8
SCHEMBL8654467
A817106
UNII-A4P6737I7F
2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methyl-phenyl]-3-oxo-isobenzofuran-1-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)amino]acetic acid
2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
N,N'-((3-OXO-1(3H)-ISOBENZOFURANYLIDENE)BIS((6-HYDROXY-5-METHYL-3,1-PHENYLENE)METHYLENE))BIS(N-(CARBOXYMETHYL)GLYCINE)
2-Cresolphthalexon
3,3'-Bis(N,N-di(carboxymethyl)aminomethyl)-o-cresolphthalein
1,3-Dihydro-3-oxoisobenzofuran-1-ylidenebis(6-hydroxy-5-methyl-m-phenylenemethylenenitrilo)tetra-acetic acid
2411-89-4