4,4',4'',4'''-(5,10,15,20-Porphyrintetrayl)tetrabenzenesulfonic acid（CAS号：35218-75-8）

Benzenesulfonic acid, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-

基本信息

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CAS号

35218-75-8

分子式

C44H30N4O12S4

分子量

935.01 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

沸点

°Cat760mmHg

密度

1.6±0.1 g/cm3

折射率

1.728

SMILES

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C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)O)C8=CC=C(C=C8)S(=O)(=O)O)C=C4)C9=CC=C(C=C9)S(=O)(=O)O)N3)S(=O)(=O)O

InChI

InChI=1S/C44H30N4O12S4/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57/h1-24,45,48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-

InChIKey

PBHVCRIXMXQXPD-LWQDQPMZSA-N

LogP

8.31040000000001

拓扑极性表面积

274.8399999999999 Å²

氢键供体/受体

6 / 16

复杂度

1770

安全信息

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危险说明

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

同义词与引用数据

英文

35218-75-8
4-[10,15,20-tris(4-sulfophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonic acid
TPPS
CS-0111571
BDBM50195138
WR 247188
MTSPP
YSCH0011
HY-W075353
4-[7,12,17-tris(4-sulfophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzene-1-sulfonic acid
DTXSID601244435
5,10,15,20-tetra(4-sulfophenyl)porphyrin
NSC177391
4,4 inverted exclamation marka,4 inverted exclamation marka,4 inverted exclamation marka inverted exclamation marka-(Porphine-5,10,15,20-tetrayl)tetrakis(benzenesulfonic acid)
4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-Benzenesulfonic acid
CHEMBL2369102
TPPS (=Tetraphenylporphyrin Tetrasulfonic Acid ) [Ultra-high sensitive spectrophotometric reagent for transition metals]
4,4',4'',4'''-(21H,23H-Porphine-5,10,15,20-tetrayl)tetrakisbenzenesulfonic acid
4,4',4'',4'''-(Porphyrin-5,10,15,20-tetrayl)tetrabenzenesulfonic acid
4,4',4'',4'''-(21H,23H-Porphine-5,10,15,20-tetrayl)tetrakis[benzenesulfonic acid]
5ZC8JLH3BN
UNII-5ZC8JLH3BN
TPPS Hydrate (=Tetraphenylporphyrin Tetrasulfonic Acid Hydrate) [Ultra-high sensitive spectrophotometric reagent for transition metals]
AKOS005494142
CHEMBL221265
NCI60_002796
TPPS4
Benzenesulfonic acid, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-
4,4',4',4''-(Porphine-5,10,15,20-tetrayl)tetrakis(benzenesulfonic acid), for spectrophotometric det. of transition metals, >=95.0%
4-[(1Z,4Z,9Z,15Z)-10,15,20-tris(4-sulfophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonic acid
4,4',4'',4'''-(21H,23H-Porphine-5,10,15,20-tetrayl)tetrakis(benzenesulfonic acid)