N-(2,3-ジヒドロ-2-オキソ-1H-ベンゾイミダゾール-5-イル)-4-[[2,5-ジメトキシ-4-[(メチルアミノ)スルホニル]フェニル]アゾ]-3-ヒドロキシ-2-ナフタレンカルボアミド

Pigment Violet 32

HCID 82983

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 12225-08-0
標準SMILES: CNS(=O)(=O)c1cc(OC)c(N=Nc2c(O)c(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc3ccccc23)cc1OC
InChIKey: UYYYMGPWQPIMAL-UHFFFAOYSA-N
分子式: C27H24N6O7S
平均分子量: 576.6 g/mol
単同位体質量: 576.1427183

名称と識別子

優先名称: Pigment Violet 32
IUPAC: 4-[[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl]-3-hydroxy-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)-4-[[2,5-ジメトキシ-4-[(メチルアミノ)スルホニル]フェニル]アゾ]-3-ヒドロキシ-2-ナフタレンカルボアミド
英語名: N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[2,5-dimethoxy-4-[(methylamino)sulphonyl]phenyl]azo]naphthalene-2-carboxamide
分子式: C27H24N6O7S
分子量: 576.58

名称と別名

EINECS 235-426-8EC 235-426-82-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-4-((2,5-dimethoxy-4-((methylamino)sulfonyl)phenyl)azo)-3-hydroxy-2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-4-(2-(2,5-dimethoxy-4-((methylamino)sulfonyl)phenyl)diazenyl)-3-hydroxy-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[2,5-dimethoxy-4-[(methylamino)sulphonyl]phenyl]azo]naphthalene-2-carboxamide2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-4-[[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]azo]-3-hydroxy-N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-((2,5-dimethoxy-4-((methylamino)sulphonyl)phenyl)azo)naphthalene-2-carboxamide2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-4-[2-[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]diazenyl]-3-hydroxy-RefChem:8632202-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-4-2,5-dimethoxy-4-(methylamino)sulfonylphenylazo-3-hydroxy-235-426-812225-08-0

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)-4-[[2,5-ジメトキシ-4-[(メチルアミノ)スルホニル]フェニル]アゾ]-3-ヒドロキシ-2-ナフタレンカルボアミドC.I.ピグメントバイオレット32ピグメントバイオレット-324-{2-[2,5-ジメトキシ-4-(メチルスルファモイル)フェニル]ジアゼン-1-イル}-3-ヒドロキシ-N-(2-オキソ-2,3-ジヒドロ-1H-1,3-ベンゾジアゾール-5-イル)ナフタレン-2-カルボキサミドC.I.12517PigmentViolet32C.I. Pigment Violet 32UYYYMGPWQPIMAL-ULIFNZDWSA-Nmethoxy-4-[(methylamino)sulfonyl]phenyl]azo]-3-hydroxy-2-naphthalenecarboxamide, n-(2,3-dihydro-2-oxo-1h-benzimidazol-5-yl)-4-[[2,5-diN-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-4-[[2,5-dimethoxy- 4-[(methylamino)sulfonyl]phenyl]azo]-2-NaphthalenecarboxamideN-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-4-[[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]azo]-3-hydroxy-2-naphthalenecarboxamide

4-[[2,5-dimethoxy-4-(methylsulfamoyl)phenyl]diazenyl]-3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamideSCHEMBL3654435DTXSID0065278SCHEMBL12760870SCHEMBL12760871SCHEMBL29353490UYYYMGPWQPIMAL-UHFFFAOYSA-NHY-D0486

データベース識別子

CAS: 12225-08-0
PubChem CID: 82983
DTXSID: DTXSID0065278
EC Number: 235-426-8
Nikkaji: J34.037E

物性

構造計算による物性

XLogP: 3.5
極性表面積: 188 Å²
水素結合供与体数: 5
水素結合受容体数: 10
回転可能結合数: 8
重原子数: 41
形式電荷: 0
複雑度: 1,090

物理化学的性質

比重(密度): 1.53 · 1.53±0.1 g/cm3(Predicted)
酸解離定数(Pka): 10.48 · 10.48±0.50(Predicted)
水溶解度: 7.4 μg/L · 7.4μg/L at 23℃
LogP: 0.84 at · 0.84 at 24℃
EPAの化学物質情報: 32 · C.I. Pigment Violet 32 (12225-08-0)

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (119 of 119) of all reports.

Not Classified

Aggregated GHS information provided per 119 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: 2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-4-[[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]azo]-3-hydroxy-

REACH registered substance: N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[2,5-dimethoxy-4-[(methylamino)sulphonyl]phenyl]azo]naphthalene-2-carboxamide (EC: 235-426-8)

2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-4-2,5-dimethoxy-4-(methylamino)sulfonylphenylazo-3-hydroxy-: 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)-4-[[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]azo]-3-hydroxy-: 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

General Manufacturing Information2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-4-[2-[2,5-dimethoxy-4-[(methylamino)sulfonyl]phenyl]diazenyl]-3-hydroxy-: ACTIVE

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化合物ノート

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