基本情報
- CAS
72214-18-7- 標準SMILES
Cc1c(Nc2nc(Cl)nc(Nc3ccccc3S(=O)(=O)[O-])n2)c(C)c(S(=O)(=O)[O-])c(C)c1Nc1cc(S(=O)(=O)[O-])c(N)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+].[Na+]- InChIKey
GWZGQKXBZOLBKS-UHFFFAOYSA-K- 分子式
- C32H23ClN7Na3O11S3
- 平均分子量
- 882.2 g/mol
- 単同位体質量
- 880.9999286
名称と識別子
- 優先名称
- 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)
- IUPAC
- trisodium;1-amino-4-[3-[[4-chloro-6-(2-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
- 英語名
- trisodium 1-amino-4-[[3-[[4-chloro-6-[(sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
- 分子式
- C32H23ClN7Na3O11S3
- 分子量
- 882.18263
名称と別名
72214-18-7EINECS 276-481-8DTXSID408902052-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)RefChem:85446DTXCID1010791282-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, trisodium salt2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, trisodium saltNS00061743Trisodium 1-amino-4-((3-((4-chloro-6-((sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulphonatophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
物性
構造計算による物性
- 極性表面積
- 332 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 18
- 回転可能結合数
- 6
- 重原子数
- 57
- 形式電荷
- 0
- 複雑度
- 1,700
物理化学的性質
- 沸点
- 1319.02 ℃[at · 1319.02℃[at 101 325 Pa]
- 比重(密度)
- 1.416 · 1.416-1.743[at 20℃]
- 蒸気圧
- 0 · 0-0Pa at 20-25℃
- 水溶解度
- 0.882 · 0.882-332000000000ng/L at 20-25℃
- LogP
- -3.88 · -3.88-6.49 at 20-25℃
- EPAの化学物質情報
- 2 · 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, trisodium salt (72214-18-7)
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 68 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, trisodium salt
REACH registered substance: Trisodium 1-amino-4-[[3-[[4-chloro-6-[(sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate (EC: 276-481-8)
2-Anthracenesulfonic acid, 1-amino-4-3-4-chloro-6-(sulfophenyl)amino-1,3,5-triazin-2-ylamino-2,4,6-trimethyl-5-sulfophenylamino-9,10-dihydro-9,10-dioxo-, trisodium 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.
Hazard Classes and CategoriesSkin Sens. 1 (100%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing Information2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:3): ACTIVE
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