3-[[4-[(1-ヒドロキシ-6-フェニルアミノ-3-ソジオスルホ-2-ナフタレニル)アゾ]-2-メチル-5-メトキシフェニル]アゾ]ナフタレン-1,5-ジスルホン酸二ナトリウム

Trisodium 3-[[4-[[6-(anilino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]naphthalene-1,5-disulphonate

HCID 80371

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 6227-20-9
標準SMILES: COc1cc(N=Nc2cc(S(=O)(=O)[O-])c3cccc(S(=O)(=O)[O-])c3c2)c(C)cc1N=Nc1c(S(=O)(=O)[O-])cc2cc(Nc3ccccc3)ccc2c1O.[Na+].[Na+].[Na+]
InChIKey: VRVDFJOCCWSFLI-UHFFFAOYSA-K
分子式: C34H24N5Na3O11S3
平均分子量: 843.8 g/mol
単同位体質量: 843.03275297

名称と識別子

優先名称: Trisodium 3-[[4-[[6-(anilino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]naphthalene-1,5-disulphonate
IUPAC: trisodium;3-[[4-[(6-anilino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate
現地名: 3-[[4-[(1-ヒドロキシ-6-フェニルアミノ-3-ソジオスルホ-2-ナフタレニル)アゾ]-2-メチル-5-メトキシフェニル]アゾ]ナフタレン-1,5-ジスルホン酸二ナトリウム
英語名: trisodium 3-[[4-[[6-(anilino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]naphthalene-1,5-disulphonate
分子式: C34H24N5Na3O11S3
分子量: 843.74557

名称と別名

1,5-Naphthalenedisulfonic acid, 3-((4-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)-5-methoxy-2-methylphenyl)azo)-, trisodium salt1,5-Naphthalenedisulfonic acid, 3-(2-(4-(2-(1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl)-5-methoxy-2-methylphenyl)diazenyl)-, sodium salt (1:3)Trisodium 3-((4-((6-(anilino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)-5-methoxy-o-tolyl)azo)naphthalene-1,5-disulphonateTrisodium 3-[[4-[[6-(anilino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]naphthalene-1,5-disulphonate1,5-Naphthalenedisulfonic acid, 3-[[4-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-5-methoxy-2-methylphenyl]azo]-, trisodium salt1,5-Naphthalenedisulfonic acid, 3-[2-[4-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:3)RefChem:900483228-327-66227-20-9C.I. Direct Violet 35, trisodium saltC.I. Direct Violet 35Direct Violet 35 trisodium

名称をさらに表示

ブリリアントコンゴブルー5RC.I.ダイレクトバイオレット353-[[4-[(1-ヒドロキシ-6-フェニルアミノ-3-ソジオスルホ-2-ナフタレニル)アゾ]-2-メチル-5-メトキシフェニル]アゾ]ナフタレン-1,5-ジスルホン酸二ナトリウム1,5-二ナトリウム 3-[2-(4-{2-[1-ヒドロキシ-6-(フェニルアミノ)-3-[(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}-5-メトキシ-2-メチルフェニル)ジアゼン-1-イル]ナフタレン-1,5-ジスルホナートC.I.27915Violet 35DirectVioletDirect Violet 35C.I.DirectViolet35Brilliant Violet 5BFNBrilliant Congo Blue 5RDirect violet 35 (C.I. 27915)C.I.Direct Violet 35:C.I.27915

DTXSID70881404EINECS 228-327-6trisodium;3-[[4-[(6-anilino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonateNS00043843Trisodium 3-({4-[(6-anilino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-1,5-disulfonate

データベース識別子

CAS: 6227-20-9
PubChem CID: 80371
DTXSID: DTXSID70881404
EC Number: 228-327-6

物性

構造計算による物性

極性表面積: 288 Å²
水素結合供与体数: 2
水素結合受容体数: 16
回転可能結合数: 7
重原子数: 56
形式電荷: 0
複雑度: 1,600

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

比重(密度): 1.56 · 1.56[at 20℃]
蒸気圧: 0 Pa · 0Pa at 25℃
水溶解度: 50 g/L · 50g/L at 20℃
LogP: -1 · -1
EPAの化学物質情報: 35 · C.I. Direct Violet 35, trisodium salt (6227-20-9)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 9.1% (12 of 132) of reports.

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 132 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1,5-Naphthalenedisulfonic acid, 3-[[4-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-5-methoxy-2-methylphenyl]azo]-, trisodium salt

1,5-Naphthalenedisulfonic acid, 3-[2-[4-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:3) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,5-Naphthalenedisulfonic acid, 3-[2-[4-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:3) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: Trisodium 3-[[4-[[6-(anilino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]naphthalene-1,5-disulphonate (EC: 228-327-6)

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)

安全データ

tsca: TSCA listed

化学と産業

用途と製造

U.S. Production2023: 75,000 - <100,000 lb

Consumer UsesDye

Industry UsesIntermediate

General Manufacturing Information · 2 件

Textiles, apparel, and leather manufacturing

1,5-Naphthalenedisulfonic acid, 3-[2-[4-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:3): ACTIVE

調製方法

製造方法3-Aminonaphthalene-1,5-disulfonic acid diazo, and 2-Amino-4-methylanisole coupling, its product to diazo, in alkaline conditions and 4-Hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid coupling.

上流・下流製品情報

上流原料

2-アミノナフタレン-4,8-ジスルホン酸 7-アニリノ-4-ヒドロキシ-2-ナフタレンスルホン酸 2-メトキシ-5-メチルアニリン

サプライヤー19 社

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]

湖北成海化工有限公司027-59220433 18327245847 · [email protected]

化合物ノート

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