C.I.ダイレクトブラウン 31（四ナトリウム塩）

HCID 17065CAS 2429-81-4

基本情報

標準SMILES: Cc1cc(N=Nc2cc3c(O)c(N=Nc4ccc(S(=O)(=O)[O-])c5ccccc45)c(S(=O)(=O)[O-])cc3cc2S(=O)(=O)[O-])c(N)c(N=Nc2ccc(-c3ccc(N=Nc4ccc(O)c(C(=O)[O-])c4)cc3)cc2)c1N.[Na+].[Na+].[Na+].[Na+]
InChIKey: DWAUTGHCJRNULO-UHFFFAOYSA-J
分子式: C46H30N10Na4O13S3
平均分子量: 1,118.9 g/mol
単同位体質量: 1,118.07467114

名称と識別子

優先名称: Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-(2-(8-hydroxy-3,6-disulfo-7-(2-(4-sulfo-1-naphthalenyl)diazenyl)-2-naphthalenyl)diazenyl)-5-methylphenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:4)
IUPAC: tetrasodium;5-[[4-[4-[[2,6-diamino-3-[[8-hydroxy-3,6-disulfonato-7-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-2-yl]diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate
現地名: C.I.ダイレクトブラウン 31（四ナトリウム塩）
英語名: tetrasodium 5-[[4'-[[2,6-diamino-3-[[8-hydroxy-3,6-disulphonato-7-[(4-sulphonato-1-naphthyl)azo]-2-naphthyl]azo]-5-tolyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate
分子式: C46H35N10NaO13S3
分子量: 1055.01

名称と別名

Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-(2-(8-hydroxy-3,6-disulfo-7-(2-(4-sulfo-1-naphthalenyl)diazenyl)-2-naphthalenyl)diazenyl)-5-methylphenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:4)Tetrasodium 5-((4'-((2,6-diamino-3-((8-hydroxy-3,6-disulphonato-7-((4-sulphonato-1-naphthyl)azo)-2-naphthyl)azo)-5-tolyl)azo)(1,1'-biphenyl)-4-yl)azo)salicylateTetrasodium 5-[[4'-[[2,6-diamino-3-[[8-hydroxy-3,6-disulphonato-7-[(4-sulphonato-1-naphthyl)azo]-2-naphthyl]azo]-5-tolyl]azo][1,1'-biphenyl]-4-yl]azo]salicylateBenzoic acid, 5-[2-[4'-[2-[2,6-diamino-3-[2-[8-hydroxy-3,6-disulfo-7-[2-(4-sulfo-1-naphthalenyl)diazenyl]-2-naphthalenyl]diazenyl]-5-methylphenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:4)RefChem:566077Direct Brown 312429-81-4C.I. Direct Brown 31, tetrasodium saltC.I. Direct Brown 31Calcomine Brown BH1UGX66R5XVegentine Fast Brown B

名称をさらに表示

ダイレクトブラウンBC.I.ダイレクトブラウン31C.I.ダイレクトブラウン 31（四ナトリウム塩）5-[[4′-[[2,6-ジアミノ-3-[[8-ヒドロキシ-3,6-ビス(ソジオスルホ)-7-[(4-ソジオスルホ-1-ナフチル)アゾ]-2-ナフチル]アゾ]-5-メチルフェニル]アゾ][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ナトリウム 5-[2-(4'-{2-[2,6-ジアミノ-3-(2-{8-ヒドロキシ-3,6-ビス[(ソジオオキシ)スルホニル]-7-(2-{4-[(ソジオオキシ)スルホニル]ナフタレン-1-イル}ジアゼン-1-イル)ナフタレン-2-イル}ジアゼン-1-イル)-5-メチルフェニル]ジアゼン-1-イル}-[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5-[[4′-[[2,6-ジアミノ-5-メチル-3-[[7-[(4-ソジオスルホ-1-ナフタレニル)アゾ]-8-ヒドロキシ-3,6-ビス(ソジオスルホ)-2-ナフタレニル]アゾ]フェニル]アゾ][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Vondacel Brown SPC.I.Direct Brown 31:C.I.356605-[[4'-[[2,6-Diamino-3-[[8-hydroxy-3,6-bis(sodiosulfo)-7-[(4-sodiosulfo-1-naphtyl)azo]-2-naphtyl]azo]-5-methylphenyl]azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxybenzoic acid sodium salt5-[[4'-[[2,6-Diamino-5-methyl-3-[[7-[(4-sodiosulfo-1-naphthalenyl)azo]-8-hydroxy-3,6-bis(sodiosulfo)-2-naphthalenyl]azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxybenzoic acid sodium salttetrasodium,(3E)-3-[[4-[4-[[2,6-diamino-3-methyl-5-[[(7Z)-8-oxo-3,6-disulfonato-7-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalen-2-yl]diazenyl]phenyl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate

tetrasodium;5-[[4-[4-[[2,6-diamino-3-[[8-hydroxy-3,6-disulfonato-7-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-2-yl]diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoateChocolate EMBLBenzoic acid, 5-((4'-((2,6-diamino-3-((8-hydroxy-3,6-disulfo-7-((4-sulfo-1-naphthalenyl)azo)-2-naphthalenyl)azo)-5-methylphenyl)azo)(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, tetrasodium saltDiazol cutch FDiazol cutch FBTriazol Brown BDirect Brown BSDirect Brown FS

データベース識別子

CAS: 2429-81-4
PubChem CID: 17065
DTXSID: DTXSID2036823
UNII: H1UGX66R5X
EC Number: 219-390-0

物性

構造計算による物性

極性表面積: 428 Å²
水素結合供与体数: 4
水素結合受容体数: 23
回転可能結合数: 9
重原子数: 76
形式電荷: 0
複雑度: 2,290

物理化学的性質

EPAの化学物質情報: 31 · C.I. Direct Brown 31, tetrasodium salt (2429-81-4)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

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-[2,6-diamino-3-[2-[8-hydroxy-3,6-disulfo-7-[2-(4-sulfo-1-naphthalenyl)diazenyl]-2-naphthalenyl]diazenyl]-5-methylphenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:4): INACTIVE

調製方法 · 1 件

製造方法4-(4-Aminophenyl)benzenamine double nitriding, first coupled with 2-Hydroxybenzoic acid, and then and 3-Amino-5-hydroxynaphthalene-2,7-disulfonic aciddiazo, in acid conditions and 4-Methylbenzene-1,3-diamine coupled to a product matches, then hydrolysis benzene sulfonic acid ester base, its products as coupling components again with diazo of 4-Aminonaphthalene-1-sulfonic acidmatches.

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