5-[[4'-[8-(2,4-ジアミノフェニルアゾ)-1-ヒドロキシ-3,6-ジ(ソジオスルホ)-2-ナフタレニルアゾ]-3,3'-ジメチル-1,1'-ビフェニル-4-イル]アゾ]-2-ヒドロキシ安息香酸ナトリウム

Benzoic acid, 5-[2-[4'-[2-[8-[2-(2,4-diaminophenyl)diazenyl]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:3)

HCID 160847

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 6505-12-0
標準SMILES: Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(N=Nc5ccc(N)cc5N)c4c3O)c(C)c2)ccc1N=Nc1ccc(O)c(C(=O)[O-])c1.[Na+].[Na+].[Na+]
InChIKey: KORMHKTWOJTCBN-UHFFFAOYSA-K
分子式: C37H27N8Na3O10S2
平均分子量: 876.8 g/mol
単同位体質量: 876.09846428

名称と識別子

優先名称: Benzoic acid, 5-[2-[4'-[2-[8-[2-(2,4-diaminophenyl)diazenyl]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:3)
IUPAC: trisodium;5-[[4-[4-[[8-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3,6-disulfonatonaphthalen-2-yl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoate
現地名: 5-[[4'-[8-(2,4-ジアミノフェニルアゾ)-1-ヒドロキシ-3,6-ジ(ソジオスルホ)-2-ナフタレニルアゾ]-3,3'-ジメチル-1,1'-ビフェニル-4-イル]アゾ]-2-ヒドロキシ安息香酸ナトリウム
英語名: trisodium 5-[[4'-[[8-[(2,4-diaminophenyl)azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate
分子式: C37H31N8NaO10S2
分子量: 834.81

名称と別名

EINECS 229-387-6Benzoic acid, 5-((4'-((8-((2,4-diaminophenyl)azo)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, trisodium saltBenzoic acid, 5-(2-(4'-(2-(8-(2-(2,4-diaminophenyl)diazenyl)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:3)Benzoic acid, 5-[[4'-[[8-[(2,4-diaminophenyl)azo]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, trisodium saltBenzoic acid, 5-[2-[4'-[2-[8-[2-(2,4-diaminophenyl)diazenyl]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:3)RefChem:566084C.I. Direct brown 52, trisodium salt6505-12-0trisodium;5-[[4-[4-[[8-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3,6-disulfonatonaphthalen-2-yl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoateDTXSID40889558NS00047934Trisodium 5-((4'-((8-((2,4-diaminophenyl)azo)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)salicylate

名称をさらに表示

C.I.ダイレクトブラウン525-[[4'-[8-(2,4-ジアミノフェニルアゾ)-1-ヒドロキシ-3,6-ジ(ソジオスルホ)-2-ナフタレニルアゾ]-3,3'-ジメチル-1,1'-ビフェニル-4-イル]アゾ]-2-ヒドロキシ安息香酸ナトリウムトリホンオリーブBN5-[(2,4-ジアミノフェニル)アゾ]-3-[[4'-[(3-カルボキシ-4-ヒドロキシフェニル)アゾ]-3,3'-ジメチル-1,1'-ビフェニル-4-イル]アゾ]-4-ヒドロキシ-2,7-ナフタレンジスルホン酸三ナトリウムピラゾールブラウンTB5-[[4′-[8-(2,4-ジアミノフェニルアゾ)-1-ヒドロキシ-3,6-ジ(ソジオスルホ)-2-ナフタレニルアゾ]-3,3′-ジメチル-1,1′-ビフェニル-4-イル]アゾ]-2-ヒドロキシ安息香酸ナトリウム5-[(2,4-ジアミノフェニル)アゾ]-3-[[4′-[(3-カルボキシ-4-ヒドロキシフェニル)アゾ]-3,3′-ジメチル-1,1′-ビフェニル-4-イル]アゾ]-4-ヒドロキシ-2,7-ナフタレンジスルホン酸三ナトリウムナトリウム 5-{2-[4'-(2-{8-[2-(2,4-ジアミノフェニル)ジアゼン-1-イル]-1-ヒドロキシ-3,6-ビス[(ソジオオキシ)スルホニル]ナフタレン-2-イル}ジアゼン-1-イル)-3,3'-ジメチル-[1,1'-ビフェニル]-4-イル]ジアゼン-1-イル}-2-ヒドロキシベンゾアートC.I.31885Direct Brown 52Trifon Olive BNPyrazol Brown TBC.I.Direct Brown 52C.I.Direct Brown 52:C.I.31885trisodium 5-[[4'-[[8-[(2,4-diaminophenyl)azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate5-[(2,4-Diaminophenyl)azo]-3-[[4'-[(3-carboxy-4-hydroxyphenyl)azo]-3,3'-dimethyl-1,1'-biphenyl-4-yl]azo]-4-hydroxy-2,7-naphthalenedisulfonic acid trisodium saltBenzoic acid, 5-[[4'-[[8-[(2,4-diaminophenyl) azo]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo ]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydrox y-, trisodium salt

Trisodium 5-{[4'-({8-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3,6-disulfonatonaphthalen-2-yl}diazenyl)-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl}-2-hydroxybenzoate

データベース識別子

CAS: 6505-12-0
PubChem CID: 160847
DTXSID: DTXSID40889558
EC Number: 229-387-6

物性

構造計算による物性

極性表面積: 338 Å²
水素結合供与体数: 4
水素結合受容体数: 18
回転可能結合数: 7
重原子数: 60
形式電荷: 0
複雑度: 1,680

物理化学的性質

EPAの化学物質情報: 52 · C.I. Direct Brown 52, trisodium salt (6505-12-0)

安全と法規制

GHS分類

GHS Classification · 3 件

Danger

H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory InformationChemical: Benzoic acid, 5-[[4'-[[8-[(2,4-diaminophenyl)azo]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, trisodium salt

Other Safety InformationIMAP assessments - Benzoic acid, 5-[[4'-[[8-[(2,4-diaminophenyl)azo]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, trisodium salt: Environment tier I assessment

Hazard Classes and CategoriesCarcinogenicity - category 1B

安全データ

tsca: TSCA listed

化学と産業

用途と製造

General Manufacturing InformationBenzoic acid, 5-[2-[4'-[2-[8-[2-(2,4-diaminophenyl)diazenyl]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:3): INACTIVE

調製方法

製造方法3,3′-Dimethylbenzidine double nitriding,first coupled with 2-Hydroxybenzoic acid, and then in alkaline conditions and 4-Amino-5-hydroxynaphthalene-2,7-disulfonic acidcoupling, its product to diazo, and Benzene-1,3-diamine coupling.

上流・下流製品情報

上流原料

化合物ノート

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