4-ヒドロキシ-5-[4-[4-[5-ヒドロキシ-6-[2-メトキシ-5-(ソジオスルホ)フェニルアゾ]-7-(ソジオスルホ)-2-ナフタレニルアミノ]-6-(フェニルアミノ)-1,3,5-トリアジン-2-イルアミノ]-5-メトキシ-2-メチルフェニルアゾ]-2,7-ナフタレンジスルホン酸ジナトリウム
2,7-naphthalenedisulfonic acid, 4-hydroxy-5-((4-((4-((5-hydroxy-6-((2-methoxy-5-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-5-methoxy-2-methylphenyl)azo)-, tetrasodium salt
基本情報
- CAS
70236-51-0- 標準SMILES
COc1ccc(S(=O)(=O)[O-])cc1N=Nc1c(S(=O)(=O)[O-])cc2cc(Nc3nc(Nc4ccccc4)nc(Nc4cc(C)c(N=Nc5cc(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])cc(O)c56)cc4OC)n3)ccc2c1O.[Na+].[Na+].[Na+].[Na+]- InChIKey
ALPKFOALTCELEH-UHFFFAOYSA-J- 分子式
- C44H32N10Na4O16S4
- 平均分子量
- 1,177 g/mol
- 単同位体質量
- 1,176.0471368
名称と識別子
- 優先名称
- 2,7-naphthalenedisulfonic acid, 4-hydroxy-5-((4-((4-((5-hydroxy-6-((2-methoxy-5-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-5-methoxy-2-methylphenyl)azo)-, tetrasodium salt
- IUPAC
- tetrasodium;4-[[4-[[4-anilino-6-[[5-hydroxy-6-[(2-methoxy-5-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate
- 現地名
- 4-ヒドロキシ-5-[4-[4-[5-ヒドロキシ-6-[2-メトキシ-5-(ソジオスルホ)フェニルアゾ]-7-(ソジオスルホ)-2-ナフタレニルアミノ]-6-(フェニルアミノ)-1,3,5-トリアジン-2-イルアミノ]-5-メトキシ-2-メチルフェニルアゾ]-2,7-ナフタレンジスルホン酸ジナトリウム
- 英語名
- 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt
- 分子式
- C44H32N10Na4O16S4
- 分子量
- 1177.00136
名称と別名
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-(2-(4-((4-((5-hydroxy-6-(2-(2-methoxy-5-sulfophenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-5-methoxy-2-methylphenyl)diazenyl)-, sodium salt (1:4)2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-((4-((4-((5-hydroxy-6-((2-methoxy-5-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-5-methoxy-2-methylphenyl)azo)-, tetrasodium salt2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[2-[4-[[4-[[5-hydroxy-6-[2-(2-methoxy-5-sulfophenyl)diazenyl]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:4)
物性
構造計算による物性
- 極性表面積
- 445 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 26
- 回転可能結合数
- 12
- 重原子数
- 78
- 形式電荷
- 0
- 複雑度
- 2,350
物理化学的性質
- EPAの化学物質情報
- 2 · 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt (70236-51-0)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 38.5% (5 of 13) of reports.
Warning
H317 (61.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 13 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-4-4-5-hydroxy-6-(2-methoxy-5-sulfophenyl)azo-7-sulfo-2-naphthalenylamino-6-(phenylamino)-1,3,5-triazin-2-ylamino-5-methoxy-2-methylphenylazo-, tetrasodium 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 Information
IMAP assessments - 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt: Human health tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (61.5%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[2-[4-[[4-[[5-hydroxy-6-[2-(2-methoxy-5-sulfophenyl)diazenyl]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:4): ACTIVE
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