1-ヒドロキシナフタレン-3,8-ジスルホン酸

1,6-Naphthalenedisulfonic acid, 8-hydroxy-

HCID 67019CAS 117-43-1

部分構造検索類似構造を探す

基本情報

標準SMILES: O=S(=O)(O)c1cc(O)c2c(S(=O)(=O)O)cccc2c1
InChIKey: XQAFHGXXHIZSGZ-UHFFFAOYSA-N
分子式: C10H8O7S2
平均分子量: 304.3 g/mol
単同位体質量: 303.97114494

名称と識別子

優先名称: 1,6-Naphthalenedisulfonic acid, 8-hydroxy-
IUPAC: 8-hydroxynaphthalene-1,6-disulfonic acid
現地名: 1-ヒドロキシナフタレン-3,8-ジスルホン酸
英語名: 1-Naphthol-3,8-disulfonic acid
分子式: C10H8O7S2
分子量: 304.3

名称と別名

1-Naphthol-3,8-disulfonic acidAndresen's Acid8-Hydroxynaphthalene-1,6-disulphonic acid8-hydroxy-1,6-naphthalenedisulfonic acid1,6-Naphthalenedisulfonic acid, 8-hydroxy-1-Naphthol, 3,8-disulfo-1-Hydroxynaphthalene-3,8-disulfonic acidNSC 8628EINECS 204-189-2DTXSID0059455RefChem:417705DTXCID6033401

名称をさらに表示

4-ヒドロキシ-2,5-ナフタレンジスルホン酸1-ヒドロキシナフタレン-3,8-ジスルホン酸8-ヒドロキシ-1,6-ナフタレンジスルホン酸イプシロン酸1-ナフトール-3,8-ジスルホン酸8-ヒドロキシナフタレン-1,6-ジスルホン酸Epsilon acid1-NAPHTHOL-3,8-DISULPHONIC ACID4-Hydroxy-2,5-naphthalenedisulfonic acid8phydroxynaphthalene-1,6-disulfonic acid

204-189-28-hydroxynaphthalene-1,6-disulfonic acid117-43-1Disulfo Acid EC10H8O7S2MFCD000357181-Naphthol,8-disulfo-SCHEMBL465011

データベース識別子

CAS: 117-43-1
PubChem CID: 67019
DTXSID: DTXSID0059455
ChEMBL: CHEMBL4598263
EC Number: 204-189-2
Nikkaji: J173.040A

物性

構造計算による物性

XLogP: 0.3
極性表面積: 146 Å²
水素結合供与体数: 3
水素結合受容体数: 7
回転可能結合数: 2
重原子数: 19
形式電荷: 0
複雑度: 527

物理化学的性質

CAS データベース: 117 · 117-43-1(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,6-Naphthalenedisulfonic acid, 8-hydroxy- (117-43-1)

化学的性質 · 1 件

化学的特性White, crystalline scales. Soluble in hot water. 1-Hydroxynaphthalene-3,8-disulfonic acid [117-43-1]. (8-hydroxynaphthalene-1,6- disulfonic acid), epsilon acid, C10H8O7S2, Mr 304.3: the sodium salt crystallizes as the hexahydrate and is readily soluble in water. Alkali fusion at 200 ℃ gives 1,8-dihydroxynaphthalene-3-sulfonic acid and amination with ammonia and ammonium chloride at 170℃ gives 6,8-diaminonaphthalene-1-sulfonic acid. Diazo coupling takes place in the 2-position and bromination in the 4-position. The 1,8-sultone is formed on dehydration with concentrated sulfuric acid.

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 2 reports by companies.；There are 0 notifications provided by 0 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesNot Classified

安全データ

tsca: TSCA listed

化学と産業

用途と製造

General Manufacturing Information1,6-Naphthalenedisulfonic acid, 8-hydroxy-: INACTIVE

応用分野

使用Azo-dye intermediate.

上流・下流製品情報

上流原料

アミノイプシロン酸水和物硫酸水素

下流製品

1,6-Naphthalenedisulfonic acid, 8-hydroxy-7-[[4-(6-methyl-2-benzothiazolyl)phenyl]azo]-, disodium salt 1,6-Naphthalenedisulfonic acid, 7-[[4'-[(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-8-hydroxy-, trisodium salt Acid Red 21 4-ヒドロキシ-3-[[4'-[(2-ヒドロキシ-8-ソジオスルホ-1-ナフタレニル)アゾ]-1,1'-ビフェニル-4-イル]アゾ]ナフタレン-2,5-ジスルホン酸二ナトリウム DIRECT BLUE 98 1,6-Naphthalenedisulfonic acid, 7-[[4-(4,6-dimethyl-2-benzothiazolyl)-2-methylphenyl]azo]-8-hydroxy-, disodium salt tetrasodium [mu-[[7,7'-[(3,3'-dihydroxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[8-hydroxynaphthalene-1,6-disulphonato]](8-)]]dicuprate(4-)8-ヒドロキシ-7-[[4'-[[4-[[1-ヒドロキシ-3,8-ビス(ソジオスルホ)-2-ナフタレニル]アゾ]-1-ナフタレニル]アゾ]-3,3'-ジメトキシ[1,1'-ビフェニル]-4-イル]アゾ]ナフタレン-1,6-ジスルホン酸二ナトリウム 1,6-Naphthalenedisulfonic acid, 8-hydroxy-7-[[4-[[4'-[(1-hydroxy-3,8-disulfo-2-naphthalenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-1-naphthalenyl]azo]-, tetrasodium salt Acid Blue 154 Direct Sky Blue FB

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