基本情報
- CAS
51920-12-8- 標準SMILES
CNS(=O)(=O)c1cc(OC)c(N=Nc2c(O)c(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc3ccccc23)cc1C- InChIKey
YKGGTUUWVUHZIL-UHFFFAOYSA-N- 分子式
- C27H24N6O6S
- 平均分子量
- 560.6 g/mol
- 単同位体質量
- 560.14780368
名称と識別子
- 優先名称
- N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[2-methoxy-5-methyl-4-[(methylamino)sulphonyl]phenyl]azo]naphthalene-2-carboxamide
- IUPAC
- 3-hydroxy-4-[[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]diazenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide
- 現地名
- N-[(2,3-ジヒドロ-2-オキソ-1H-ベンゾイミダゾール)-5-イル]-3-ヒドロキシ-4-[[2-メトキシ-5-メチル-4-[(メチルアミノ)スルホニル]フェニル]アゾ]-2-ナフタレンカルボアミド
- 英語名
- Pigment Red HF4C
- 分子式
- C27H24N6O6S
- 分子量
- 560.58
名称と別名
N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[2-methoxy-5-methyl-4-[(methylamino)sulphonyl]phenyl]azo]naphthalene-2-carboxamideDTXSID20686862-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-((2-methoxy-5-methyl-4-((methylamino)sulfonyl)phenyl)azo)-2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[2-methoxy-5-methyl-4-[(methylamino)sulfonyl]phenyl]azo]-N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-((2-methoxy-5-methyl-4-((methylamino)sulphonyl)phenyl)azo)naphthalene-2-carboxamideRefChem:823863DTXCID90411042-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-2-methoxy-5-methyl-4-(methylamino)sulfonylphenylazo-257-515-051920-12-83-hydroxy-4-[[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]diazenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamideEINECS 257-515-0
名称をさらに表示
N-[(2,3-ジヒドロ-2-オキソ-1H-ベンゾイミダゾール)-5-イル]-3-ヒドロキシ-4-[[2-メトキシ-5-メチル-4-[(メチルアミノ)スルホニル]フェニル]アゾ]-2-ナフタレンカルボアミド
物性
構造計算による物性
- XLogP
- 3.9
- 極性表面積
- 179 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 9
- 回転可能結合数
- 7
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 1,070
実験および物理化学的性質
Physical DescriptionDry Powder
物理化学的性質
- 融点
- 335 · 335-345 ºC
- 比重(密度)
- 1.3 · 1.3-1.4
- 酸解離定数(Pka)
- 10.63 · 10.63±0.50(Predicted)
- 水溶解度
- 3.4 μg/L · 3.4μg/L at 26℃
- LogP
- 0.8 at · 0.8 at 25℃
- EPAの化学物質情報
- 2 · 2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[2-methoxy-5-methyl-4-[(methylamino)sulfonyl]phenyl]azo]- (51920-12-8)
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 100% (137 of 137) of all reports.
Not Classified
Aggregated GHS information provided per 137 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[2-methoxy-5-methyl-4-[(methylamino)sulfonyl]phenyl]azo]-
2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[2-[2-methoxy-5-methyl-4-[(methylamino)sulfonyl]phenyl]diazenyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[2-[2-methoxy-5-methyl-4-[(methylamino)sulfonyl]phenyl]diazenyl]- 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: N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[2-methoxy-5-methyl-4-[(methylamino)sulphonyl]phenyl]azo]naphthalene-2-carboxamide (EC: 257-515-0)
2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-2-methoxy-5-methyl-4-(methylamino)sulfonylphenylazo-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[2-methoxy-5-methyl-4-[(methylamino)sulfonyl]phenyl]azo]-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: <50,000 lb
Industry UsesPigment
General Manufacturing Information
Miscellaneous Manufacturing
2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[2-[2-methoxy-5-methyl-4-[(methylamino)sulfonyl]phenyl]diazenyl]-: ACTIVE
応用分野
使用Pigment Red 185 is an organic pigment used in artist’s paints throughout the 20th and 21st centuries.
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