Chromate(5-), bis[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(hydroxy-kappaO)-3-[2-[2-(hydroxy-kappaO)-5-nitrophenyl]diazenyl-kappaN1]-2,7-naphthalenedisulfonato(4-)]-, sodium hydrogen (1:4:1)
基本情報
- CAS
70776-54-4- 標準SMILES
Nc1nc(Cl)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4cc([N+](=O)[O-])ccc4O)c(O)c23)n1.Nc1nc(Cl)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4cc([N+](=O)[O-])ccc4O)c(O)c23)n1.[Cr].[H+].[Na+].[Na+].[Na+].[Na+]- InChIKey
YQPOJNNEYHRVIV-UHFFFAOYSA-O- 分子式
- C38H27Cl2CrN16Na4O20S4+5
- 平均分子量
- 1,370.8 g/mol
- 単同位体質量
- 1,368.884324
名称と識別子
- 優先名称
- Chromate(5-), bis[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(hydroxy-kappaO)-3-[2-[2-(hydroxy-kappaO)-5-nitrophenyl]diazenyl-kappaN1]-2,7-naphthalenedisulfonato(4-)]-, sodium hydrogen (1:4:1)
- IUPAC
- tetrasodium;bis(5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron
名称と別名
EINECS 274-870-7Chromate(5-), bis(5-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-2,7-naphthalenedisulfonato(4-))-, sodium hydrogen (1:4:1)Chromate(5-), bis(5-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-hydroxy-5-nitrophenyl)azo)-2,7-naphthalenedisulfonato(4-))-, tetrasodium hydrogenTetrasodium hydrogen bis(5-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-hydroxy-5-nitrophenyl)azo)naphthalene-2,7-disulphonato(4-))chromate(5-)Chromate(5-), bis[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(hydroxy-kappaO)-3-[2-[2-(hydroxy-kappaO)-5-nitrophenyl]diazenyl-kappaN1]-2,7-naphthalenedisulfonato(4-)]-, sodium hydrogen (1:4:1)Chromate(5-), bis[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]-2,7-naphthalenedisulfonato(4-)]-, tetrasodium hydrogenTetrasodium hydrogen bis[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-2,7-disulphonato(4-)]chromate(5-)RefChem:576796274-870-7Chromate(5-), bis[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(hydroxy-.kappa.O)-3-[2-[2-(hydroxy-.kappa.O)-5-nitrophenyl]diazenyl-.kappa.N1]-2,7-naphthalenedisulfonato(4-)]-, sodium hydrogen (1:4:1)
物性
構造計算による物性
- 極性表面積
- 626 Ų
- 水素結合供与体数
- 13
- 水素結合受容体数
- 34
- 回転可能結合数
- 4
- 重原子数
- 85
- 形式電荷
- 5
- 複雑度
- 2,520
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 63.2% (24 of 38) of all reports.
Warning
H317 (36.8%): 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 38 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Chromate(5-), bis[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]-2,7-naphthalenedisulfonato(4-)]-, tetrasodium hydrogen
Chromate(5-), bis5-(4-amino-6-chloro-1,3,5-triazin-2-yl)amino-4-hydroxy-3-(2-hydroxy-5-nitrophenyl)azo-2,7-naphthalenedisulfonato(4-)-, tetrasodium hydrogen: 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 - Chromate(5-), bis[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]-2,7-naphthalenedisulfonato(4-)]-, tetrasodium hydrogen: Human health tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (36.8%)
化学と産業
用途と製造
General Manufacturing InformationChromate(5-), bis[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-(hydroxy-.kappa.O)-3-[2-[2-(hydroxy-.kappa.O)-5-nitrophenyl]diazenyl-.kappa.N1]-2,7-naphthalenedisulfonato(4-)]-, sodium hydrogen (1:4:1): ACTIVE
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