2-[[4-[[4-[(4,6-ジクロロ-1,3,5-トリアジン-2-イル)アミノ]-5-ソジオスルホ-1-ナフタレニル]アゾ]-2,5-ジメチルフェニル]アゾ]-1,4-ベンゼンジスルホン酸ジナトリウム

1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfo-1-naphthalenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-, sodium salt (1:3)

HCID 163275CAS 68892-31-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc(N=Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c3c(S(=O)(=O)[O-])cccc23)c(C)cc1N=Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChIKey: UPDVDGUOBRUKAJ-UHFFFAOYSA-K
分子式: C27H17Cl2N8Na3O9S3
平均分子量: 833.5 g/mol
単同位体質量: 831.93507532

名称と識別子

優先名称: 1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfo-1-naphthalenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-, sodium salt (1:3)
IUPAC: trisodium;2-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-disulfonate
現地名: 2-[[4-[[4-[(4,6-ジクロロ-1,3,5-トリアジン-2-イル)アミノ]-5-ソジオスルホ-1-ナフタレニル]アゾ]-2,5-ジメチルフェニル]アゾ]-1,4-ベンゼンジスルホン酸ジナトリウム
英語名: C.I. Reactive brown 23
分子量: 0

名称と別名

68892-31-9EINECS 272-614-9DTXSID008900041,4-Benzenedisulfonic acid, 2-(2-(4-(2-(4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-5-sulfo-1-naphthalenyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-, sodium salt (1:3)2-((4-((4-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-5-sulfo-1-naphthalenyl)azo)-2,5-dimethylphenyl)azo)-1,4-benzenedisulfonic acid, trisodium salt71872-78-11,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfo-1-naphthalenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-, sodium salt (1:3)RefChem:73087DTXCID601078913615-672-61,4-Benzenedisulfonic acid, 2-((4-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-5-sulfo-1-naphthalenyl)azo)-2,5-dimethylphenyl)azo)-, trisodium salt1,4-Benzenedisulfonic acid, 2-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfo-1-naphthalenyl]azo]-2,5-dimethylphenyl]azo]-, trisodium salt

名称をさらに表示

2-[4-[4-[(4,6-ジクロロ-1,3,5-トリアジン-2-イル)アミノ]-5-(ソジオオキシスルホニル)ナフタレン-1-イルアゾ]-2,5-ジメチルフェニルアゾ]ベンゼン-1,4-ビス(スルホン酸ナトリウム)プロシオンブラウンMX-GR2-[[4-[[4-[(4,6-ジクロロ-1,3,5-トリアジン-2-イル)アミノ]-5-ソジオスルホ-1-ナフタレニル]アゾ]-2,5-ジメチルフェニル]アゾ]-1,4-ベンゼンジスルホン酸ジナトリウムプロシオンブラウンMX-GRNC.I.リアクティブブラウン231,4-二ナトリウム 2-{2-[4-(2-{4-[(4,6-ジクロロ-1,3,5-トリアジン-2-イル)アミノ]-5-[(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)-2,5-ジメチルフェニル]ジアゼン-1-イル}ベンゼン-1,4-ジスルホナートProcion Brown MX-GR2-[[4-[[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-5-sodiosulfo-1-naphthalenyl]azo]-2,5-dimethylphenyl]azo]-1,4-benzenedisulfonic acid disodium salt2-[[4-[[4-[(4,6-Dichloro-1,3,5-triazine-2-yl)amino]-5-sodiosulfo-1-naphthalenyl]azo]-2,5-dimethylphenyl]azo]-1,4-benzenedisulfonic acid disodium salt2-[4-[4-[(4,6-Dichloro-1,3,5-triazine-2-yl)amino]-5-(sodiooxysulfonyl)naphthalene-1-ylazo]-2,5-dimethylphenylazo]benzene-1,4-bis(sulfonic acid sodium) salt

2-4-4-(4,6-dichloro-1,3,5-triazin-2-yl)amino-5-sulphonato-1-naphthylazo-2,5-dimethylphenylazobenzene-1,4-disulph onate (sodium salt)C.I. Reactive Brown 23orb2565384SCHEMBL5576423UPDVDGUOBRUKAJ-UHFFFAOYSA-KNS00090776T87300Trisodium 2-((4-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-5-sulphonato-1-naphthyl)azo)-2,5-dimethylphenyl)azo)benzene-1,4-disulphonate

データベース識別子

CAS: 68892-31-9、71872-78-1
PubChem CID: 163275
DTXSID: DTXSID00890004
EC Number: 272-614-9、615-672-6
Nikkaji: J215.632F

物性

構造計算による物性

極性表面積: 297 Å²
水素結合供与体数: 1
水素結合受容体数: 17
回転可能結合数: 6
重原子数: 52
形式電荷: 0
複雑度: 1,490

安全と法規制

危険有害性情報

Regulatory Information · 2 件

Chemical: 1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfo-1-naphthalenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-, sodium salt (1:3)

1,4-Benzenedisulfonic acid, 2-4-4-(4,6-dichloro-1,3,5-triazin-2-yl)amino-5-sulfo-1-naphthalenylazo-2,5-dimethylphenylazo-, trisodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - 1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfo-1-naphthalenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-, sodium salt (1:3): Human health tier I assessment

化学と産業

用途と製造

General Manufacturing Information1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfo-1-naphthalenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-, sodium salt (1:3): INACTIVE