基本情報
- CAS
61901-80-2- 標準SMILES
O=S(=O)([O-])c1cc2cc(Nc3nc(F)nc(F)c3Cl)ccc2c(O)c1N=Nc1ccc2c(S(=O)(=O)[O-])cccc2c1S(=O)(=O)[O-].[Na+].[Na+].[Na+]- InChIKey
XAQCRMBBLVHCHU-UHFFFAOYSA-K- 分子式
- C24H11ClF2N5Na3O10S3
- 平均分子量
- 768 g/mol
- 単同位体質量
- 766.9017719
名称と識別子
- 優先名称
- 1,5-Naphthalenedisulfonic acid, 2-[2-[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3)
- IUPAC
- trisodium;2-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]naphthalene-1,5-disulfonate
- 現地名
- C.I.リアクティブオレンジ64
- 英語名
- Reactive orange 64
- 分子式
- C24H11ClF2N5Na3O10S3
- 分子量
- 767.9857564
名称と別名
72828-73-0DTXSID708902931,5-Naphthalenedisulfonic acid, 2-(2-(6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)1,5-Naphthalenedisulfonic acid, 2-[2-[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3)RefChem:73521DTXCID60107922861901-80-2612-667-083763-57-91,5-Naphthalenedisulfonic acid, 2-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, trisodium salt1,5-Naphthalenedisulfonic acid, 2-[[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, trisodium salt2-6-(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino-1-hydroxy-3-sulpho-2-naphthylazonaphthalene-1,5-disulphonic acid (sodium salt)
名称をさらに表示
レバフィックスオレンジE-3GAC.I.リアクティブオレンジ64Reactive orange 64C.I.Reactive Orange 64:C.I.179095
Levafix orange E 3GAC.I. Reactive Orange 64EINECS 280-744-22-((6-((5-Chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)naphthalene-1,5-disulphonic acid, sodium saltSCHEMBL30338211SCHEMBL30399908TYEWMTMUECRRAY-NPGWZDISSA-K7-((5-Chloro-2,4-difluoro-6-pyrimidyl)amino)-4-hydroxy-3-((1,5-disulfo-2-naphthyl)azo)-2-naphthalenesulfonic acid, trisodium salt
物性
構造計算による物性
- 極性表面積
- 280 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 17
- 回転可能結合数
- 4
- 重原子数
- 48
- 形式電荷
- 0
- 複雑度
- 1,390
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]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 15 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
危険有害性情報
Regulatory Information
Chemical: 1,5-Naphthalenedisulfonic acid, 2-[[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, sodium salt
REACH registered substance: 2-[[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid, sodium salt (EC: 280-744-2)
1,5-Naphthalenedisulfonic acid, 2-6-(5-chloro-2,6-difluoro-4-pyrimidinyl)amino-1-hydroxy-3-sulfo-2-naphthalenylazo-, sodium 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.
Other Safety InformationIMAP assessments - 1,5-Naphthalenedisulfonic acid, 2-[[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, sodium salt: Human health tier I assessment
Hazard Classes and Categories
Skin Sens. 1 (100%)
Resp. Sens. 1 (100%)
化学と産業
用途と製造
General Manufacturing Information1,5-Naphthalenedisulfonic acid, 2-[2-[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3): ACTIVE
調製方法
製造方法2-Aminonaphthalene-1,5-disulfonic acid diazo, and 7-Amino-4-hydroxynaphthalene-2-sulfonic acid coupling, and 5-Chloro-2,4,6-trifluoropyrimidinecondensation.
上流・下流製品情報
上流原料
サプライヤー1 社
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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