1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-(4-(2-phenyldiazenyl)phenyl)diazenyl)-, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:2)
基本情報
- CAS
68555-82-8- 標準SMILES
CCCCC(CC)CNCC(CC)CCCC.CCCCC(CC)CNCC(CC)CCCC.O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(N=Nc3ccc(N=Nc4ccccc4)cc3)c(O)ccc2c1- InChIKey
ZJFOUZIIDOBDTH-UHFFFAOYSA-N- 分子式
- C22H16N4O7S2.2C16H35N
- 平均分子量
- 995.4 g/mol
- 単同位体質量
- 994.59994145
名称と識別子
- 優先名称
- 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-(4-(2-phenyldiazenyl)phenyl)diazenyl)-, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:2)
- IUPAC
- bis(2-ethyl-N-(2-ethylhexyl)hexan-1-amine);7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfonic acid
名称と別名
EINECS 271-461-568555-82-8DTXSID108874651-((4-(Phenylazo)phenyl)azo)-2-hydroxy-6,8-naphthalenedisulfonic acid, di(2-ethylhexyl)ammonium salt (1:2)RefChem:72886DTXCID901026759SCHEMBL8374392ZJFOUZIIDOBDTH-UHFFFAOYSA-N7-Hydroxy-8-((4-(phenylazo)phenyl)azo)naphthalene-1,3-disulphonic acid, compound with 2-ethyl-N-(2-ethylhexyl)hexylamine (1:2)7-Hydroxy-8-{[4-(phenyldiazenyl)phenyl]diazenyl}naphthalene-1,3-disulfonic acid--2-ethyl-N-(2-ethylhexyl)hexan-1-amine (1/2)
データベース識別子
- CAS
68555-82-8- PubChem CID
- 163245
- DTXSID
DTXSID10887465- EC Number
- 271-461-5
物性
構造計算による物性
- 極性表面積
- 219 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 13
- 回転可能結合数
- 30
- 重原子数
- 69
- 形式電荷
- 0
- 複雑度
- 1,110
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
Not Classified
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[[4-(phenylazo)phenyl]azo]-, compound with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:2)
1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-4-(phenylazo)phenylazo-, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:2): 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 - Dyes that could release selected carcinogenic amines (listed on AICS): Human health tier II assessment
Hazard Classes and Categories
Not Classified
Carcinogenicity - category 2
化学と産業
用途と製造
General Manufacturing Information1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:2): ACTIVE
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…