9-[N-エチル-N-(3-ソジオスルホベンジル)アミノ]-5-[(4-ジエチルアミノ-3-スルホフェニル)アミノ]-7-フェニルベンゾ[a]フェナジン-7-イウム

Benzo(a)phenazinium, 5-((4-(diethylamino)-3-sulfophenyl)amino)-9-(ethyl((3-sulfophenyl)methyl)amino)-7-phenyl-, inner salt, monosodium salt

HCID 6454722CAS 6378-89-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc2nc3c4ccccc4c(Nc4ccc(N(CC)CC)c(S(=O)(=O)[O-])c4)cc3[n+](-c3ccccc3)c2c1.[Na+]
InChIKey: NSHHRCZECSCEJY-UHFFFAOYSA-M
分子式: C41H38N5NaO6S2
平均分子量: 783.9 g/mol
単同位体質量: 783.21612022

名称と識別子

優先名称: Benzo(a)phenazinium, 5-((4-(diethylamino)-3-sulfophenyl)amino)-9-(ethyl((3-sulfophenyl)methyl)amino)-7-phenyl-, inner salt, monosodium salt
IUPAC: sodium 2-(diethylamino)-5-[[9-[ethyl-[(3-sulfonatophenyl)methyl]amino]-7-phenylbenzo[a]phenazin-7-ium-5-yl]amino]benzenesulfonate
現地名: 9-[N-エチル-N-(3-ソジオスルホベンジル)アミノ]-5-[(4-ジエチルアミノ-3-スルホフェニル)アミノ]-7-フェニルベンゾ[a]フェナジン-7-イウム
英語名: Acid blue 98 (C.I. 50335)
分子式: C41H39N5O6S2.Na
分子量: 784.91

名称と別名

6378-89-8Benzo(a)phenazinium, 5-((4-(diethylamino)-3-sulfophenyl)amino)-9-(ethyl((3-sulfophenyl)methyl)amino)-7-phenyl-, inner salt, monosodium saltBenzo(a)phenazinium, 5-((4-(diethylamino)-3-sulfophenyl)amino)-9-(ethyl((3-sulfophenyl)methyl)amino)-7-phenyl-, inner salt, sodium salt (1:1)72829-38-0Benzo[a]phenazinium, 5-[[4-(diethylamino)-3-sulfophenyl]amino]-9-[ethyl[(3-sulfophenyl)methyl]amino]-7-phenyl-, inner salt, monosodium saltBenzo(a)phenazinium, 5-((4-(diethylamino)-3-sulfophenyl)amino)-9-(ethyl((3-sulfophenyl)methyl)amino)-7-phenyl-, inner salt, disodium saltBenzo[a]phenazinium, 5-[[4-(diethylamino)-3-sulfophenyl]amino]-9-[ethyl[(3-sulfophenyl)methyl]amino]-7-phenyl-, inner salt, disodium saltBenzo(a)phenazinium, 5-((4-(diethylamino)-3-sulfophenyl)amino)-9-(ethyl((3-sulfophenyl)methyl)amino)-7-phenyl-, inner salt, sodium salt (1:2)DTXSID00980353NSHHRCZECSCEJY-UHFFFAOYSA-M5-((4-Diethylamino-3-sulfophenyl)imino)-9-(N-ethyl-N-((3-sulfophenyl)methyl)amino)-7-phenyl-5,7-dihydrobenzo(a)phenazine, disodium saltSodium 2-(diethylamino)-5-[(9-{ethyl[(3-sulfonatophenyl)methyl]amino}-7-phenylbenzo[a]phenazin-7-ium-5-yl)amino]benzene-1-sulfonate

名称をさらに表示

C.I.アシッドブルー989-[N-エチル-N-(3-ソジオスルホベンジル)アミノ]-5-[(4-ジエチルアミノ-3-スルホフェニル)アミノ]-7-フェニルベンゾ[a]フェナジン-7-イウムスプラノールファーストシアニンB12-{[4-(ジエチルアミノ)-3-スルホフェニル]アミノ}-8-[エチル({3-[(ソジオオキシ)スルホニル]フェニル}メチル)アミノ]-10-フェニル-5,10λ5-ジアザテトラフェン-10-イリウムC.I.50335Acid Blue 98C.I.Acid Blue 98Supranol Fast Cyanine BAcid blue 98 (C.I. 50335)C.I.Acid Blue 98:C.I.503359-[N-Ethyl-N-(3-sodiosulfobenzyl)amino]-5-[(4-diethylamino-3-sulfophenyl)amino]-7-phenylbenzo[a]phenazin-7-iumsodium,2-(diethylamino)-5-[[9-[ethyl-[(3-sulfonatophenyl)methyl]amino]-7-phenylbenzo[a]phenazin-7-ium-5-yl]amino]benzenesulfonate

データベース識別子

CAS: 6378-89-8、72829-38-0
PubChem CID: 6454722
DTXSID: DTXSID00980353
EC Number: 613-380-3

物性

構造計算による物性

極性表面積: 166 Å²
水素結合供与体数: 1
水素結合受容体数: 10
回転可能結合数: 10
重原子数: 55
形式電荷: 0
複雑度: 1,410

物理化学的性質

EPAの化学物質情報: 5 · Benzo[a]phenazinium, 5-[[4-(diethylamino)-3-sulfophenyl]amino]-9-[ethyl[(3-sulfophenyl)methyl]amino]-7-phenyl-, inner salt, monosodium salt (6378-89-8)

安全と法規制

安全データ

tsca: TSCA listed

化学と産業

用途と製造

General Manufacturing Information · 2 件

Benzo[a]phenazinium, 5-[[4-(diethylamino)-3-sulfophenyl]amino]-9-[ethyl[(3-sulfophenyl)methyl]amino]-7-phenyl-, inner salt, sodium salt (1:1): INACTIVE

Benzo[a]phenazinium, 5-[[4-(diethylamino)-3-sulfophenyl]amino]-9-[ethyl[(3-sulfophenyl)methyl]amino]-7-phenyl-, inner salt, sodium salt (1:2): INACTIVE

調製方法 · 1 件

製造方法N-ethyl-N-benzyl-4-nitrosoanilineand N-phenyl-2-naphthylaminec condensation and oxidation of the product. Then with N1,N1-diethylbenzene-1,4-diamine and condensation of a mixture of N,N-diethyl-4-nitrosobenzenamine and with 65% oleum disulfonated finally converted into sodium salt.

上流・下流製品情報

上流原料