基本情報
- CAS
65113-55-5- 標準SMILES
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.O=S(=O)([O-])c1cccc(N=Nc2ccc(Nc3ccccc3)cc2)c1- InChIKey
PFSIUSJTHMWHPU-UHFFFAOYSA-M- 分子式
- C25H30N3.C18H14N3O3S
- 平均分子量
- 724.9 g/mol
- 単同位体質量
- 724.31956046
名称と識別子
- 優先名称
- Methylium, tris(4-(dimethylamino)phenyl)-, 3-(2-(4-(phenylamino)phenyl)diazenyl)benzenesulfonate (1:1)
- IUPAC
- 3-[(4-anilinophenyl)diazenyl]benzenesulfonate;[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
- 英語名
- [4-[p,p'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium m-[[p-anilinophenyl]azo]benzenesulphonate
- 分子式
- C25H30N3.C18H14N3O3S
- 分子量
- 724.92
名称と別名
65294-17-9Methylium, tris(4-(dimethylamino)phenyl)-, 3-(2-(4-(phenylamino)phenyl)diazenyl)benzenesulfonate (1:1)Methylium, tris(4-(dimethylamino)phenyl)-, salt with 3-((4-(phenylamino)phenyl)azo)benzenesulfonic acid (1:1)Methylium, tris[4-(dimethylamino)phenyl]-, salt with 3-[[4-(phenylamino)phenyl]azo]benzenesulfonic acid (1:1)RefChem:1089697265-686-8Solvent Black 4665113-55-5p,p',p''-tris(dimethylamino)tritylium m-[(p-anilinophenyl)azo]benzenesulphonateMethanaminium, N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, salt with 3-[[4-(phenylamino)phenyl]azo]benzenesulfonic acid (1:1)EINECS 265-686-8p,p',p''-Tris(dimethylamino)tritylium m-((p-anilinophenyl)azo)benzenesulphonate
名称をさらに表示
[4-[p,p'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium m-[[p-anilinophenyl]azo]benzenesulphonate
Methanaminium, N-(4-(bis(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, salt with 3-((4-(phenylamino)phenyl)azo)benzenesulfonic acid (1:1)EINECS 265-449-9EC 265-449-9(4-(p,p'-Bis(dimethylamino)benzhydrylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium m-((p-anilinophenyl)azo)benzenesulphonateorb2565272DTXSID00885930PFSIUSJTHMWHPU-UHFFFAOYSA-MHY-D0605
物性
構造計算による物性
- 極性表面積
- 112 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 8
- 回転可能結合数
- 8
- 重原子数
- 53
- 形式電荷
- 0
- 複雑度
- 1,060
実験および物理化学的性質
Physical DescriptionLiquid
物理化学的性質
- 比重(密度)
- 0.69 · 0.69[at 20℃]
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 水溶解度
- 10 μg/L · 10μg/L at 20℃
- LogP
- 2.807 at · 2.807 at 25℃
- EPAの化学物質情報
- 4 · Methanaminium, N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, salt with 3-[[4-(phenylamino)phenyl]azo]benzenesulfonic acid (1:1) (65113-55-5)
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 26.1% (37 of 142) of reports.
Danger
H318 (73.9%): 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)
Aggregated GHS information provided per 142 reports by companies from 2 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 8.7% (6 of 69) of reports.
危険有害性情報
Regulatory Information
Chemical: Methylium, tris[4-(dimethylamino)phenyl]-, 3-[2-[4-(phenylamino)phenyl]diazenyl]benzenesulfonate (1:1)
Chemical: Methanaminium, N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, 3-[[4-(phenylamino)phenyl]azo]benzenesulfonate (1:1)
Methylium, tris[4-(dimethylamino)phenyl]-, 3-[2-[4-(phenylamino)phenyl]diazenyl]benzenesulfonate (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methylium, tris[4-(dimethylamino)phenyl]-, 3-[2-[4-(phenylamino)phenyl]diazenyl]benzenesulfonate (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: [4-[p,p'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium m-[[p-anilinophenyl]azo]benzenesulphonate (EC: 265-449-9)
Methylium, tris4-(dimethylamino)phenyl-, salt with 3-4-(phenylamino)phenylazobenzenesulfonic acid (1:1): 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.
Hazard Classes and Categories
Acute Tox. 4 (68.1%)
Eye Dam. 1 (73.9%)
安全データ
- tsca
化学と産業
用途と製造
U.S. Production2023: 71,745 lb
Consumer UsesOther
Industry UsesOther
General Manufacturing Information
Printing and Related Support Activities
Methanaminium, N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, 3-[[4-(phenylamino)phenyl]azo]benzenesulfonate (1:1): ACTIVE
Methylium, tris[4-(dimethylamino)phenyl]-, 3-[2-[4-(phenylamino)phenyl]diazenyl]benzenesulfonate (1:1): ACTIVE
サプライヤー2 社
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