2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((2-((4-fluoro-6-((5-hydroxy-6-(2-(4-methoxy-2-sulfophenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-1-methylethyl)amino)-1,3,5-triazin-2-yl)amino)-3-(2-(4-(ethenylsulfonyl)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:?)
基本情報
- CAS
168113-78-8- 標準SMILES
C=CS(=O)(=O)c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(Nc4nc(Cl)nc(NC(C)CNc5nc(F)nc(Nc6ccc7c(O)c(N=Nc8ccc(OC)cc8S(=O)(=O)O)c(S(=O)(=O)O)cc7c6)n5)n4)c3c2O)cc1.[Na+]- InChIKey
QGCWXLKGEIAZJB-UHFFFAOYSA-N- 分子式
- C44H36ClFN14NaO17S5+
- 平均分子量
- 1,270.6 g/mol
- 単同位体質量
- 1,269.0556667
概要
See other relationships...
名称と識別子
- 優先名称
- 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((2-((4-fluoro-6-((5-hydroxy-6-(2-(4-methoxy-2-sulfophenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-1-methylethyl)amino)-1,3,5-triazin-2-yl)amino)-3-(2-(4-(ethenylsulfonyl)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:?)
- IUPAC
- sodium 5-[[4-chloro-6-[1-[[4-fluoro-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ylamino]-1,3,5-triazin-2-yl]amino]-3-[(4-ethenylsulfonylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
名称と別名
EC 418-380-52,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((2-((4-fluoro-6-((5-hydroxy-6-(2-(4-methoxy-2-sulfophenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-1-methylethyl)amino)-1,3,5-triazin-2-yl)amino)-3-(2-(4-(ethenylsulfonyl)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:?)2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[2-[[4-fluoro-6-[[5-hydroxy-6-[2-(4-methoxy-2-sulfophenyl)diazenyl]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-1-methylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-[2-[4-(ethenylsulfonyl)phenyl]diazenyl]-4-hydroxy-, sodium salt (1:?)5-((4-Chloro-6-((2-((4-fluoro-6-((5-hydroxy-6-((4-methoxy-2-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-1-methylethyl)amino)-1,3,5-triazin-2-yl)amino)-3-((4-(ethenylsulfonyl)phenyl)azo)-4-hydroxy-naphtalene-2,7-disulfonic acid, sodium salt5-[[4-chloro-6-[[2-[[4-fluoro-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-1-methylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-[[4-(ethenylsulfonyl)phenyl]azo]-4-hydroxy-naphtalene-2,7-disulfonic acid, sodium salt
物性
構造計算による物性
- 極性表面積
- 518 Ų
- 水素結合供与体数
- 10
- 水素結合受容体数
- 32
- 回転可能結合数
- 20
- 重原子数
- 83
- 形式電荷
- 1
- 複雑度
- 2,830
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
Danger
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Danger
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 5-[[4-chloro-6-[[2-[[4-fluoro-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-1-methylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-[[4-(ethenylsulfonyl)phenyl]azo]-4-hydroxy-naphtalene-2,7-disulfonic acid, sodium salt (EC: 418-380-5)
Hazard Classes and Categories
Eye damage - category 1
Eye Dam. 1
化学と産業
用途と製造
General Manufacturing Information
2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[2-[[4-fluoro-6-[[5-hydroxy-6-[2-(4-methoxy-2-sulfophenyl)diazenyl]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-1-methylethyl]amino]-1,3,5-triazin-2-yl]amino]-3-[2-[4-(ethenylsulfonyl)phenyl]diazenyl]-4-hydroxy-, sodium salt (1:?): ACTIVE
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