基本情報
- CAS
31837-42-0- 標準SMILES
CC(=O)C(N=Nc1ccccc1C(=O)O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1- InChIKey
YMFWVWDPPIWORA-UHFFFAOYSA-N- 分子式
- C18H15N5O5
- 平均分子量
- 381.3 g/mol
- 単同位体質量
- 381.10731858
名称と識別子
- 優先名称
- Pigment Yellow 151
- IUPAC
- 2-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoic acid
- 現地名
- 2-[[1-[[[(2,3-ジヒドロ-2-オキソ-1H-ベンゾイミダゾール)-5-イル]アミノ]カルボニル]-2-オキソプロピル]アゾ]安息香酸
- 英語名
- Pigment Yellow 151
- 分子式
- C18H15N5O5
- 分子量
- 381.34
名称と別名
EINECS 250-830-4EC 250-830-42-[[1-[[(2,3-dihydro-2-oxo-1h-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]benzoic acid2-((1-(((2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-oxopropyl)azo)benzoic acidBenzoic acid, 2-((1-(((2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-oxopropyl)azo)Benzoic acid, 2-((1-(((2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-oxopropyl)azo)-Benzoic acid, 2-(2-(1-(((2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-oxopropyl)diazenyl)-250-830-4Benzoic acid, 2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]-Benzoic acid, 2-[2-[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]diazenyl]-RefChem:86324061036-28-0
名称をさらに表示
C.I.ピグメントイエロー1515-[2-(2-カルボキシフェニルアゾ)アセトアセチルアミノ]-1H-ベンゾイミダゾール-2(3H)-オン2-[[1-[(2-オキソ-2,3-ジヒドロ-1H-ベンゾイミダゾール-5-イル)カルバモイル]-2-オキソプロピル]アゾ]安息香酸2-[[1-[[[(2,3-ジヒドロ-2-オキソ-1H-ベンゾイミダゾール)-5-イル]アミノ]カルボニル]-2-オキソプロピル]アゾ]安息香酸
物性
構造計算による物性
- XLogP
- 1.7
- 極性表面積
- 149 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 7
- 回転可能結合数
- 6
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 681
実験および物理化学的性質
Polymers
Plastics -> Pigments agents
Plastics -> Polyolefin-I; Polyolefin-II; PVC (soft); ABS; PVC (rigid); (E)PS
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical DescriptionCBI; Dry Powder; Wet Solid; Dry Powder
物理化学的性質
- 沸点
- 546.6 · 546.6±50.0 °C(Predicted)
- 比重(密度)
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- 溶解性
- 210 μg/L · 210μg/L in organic solvents at 20 ℃
- 酸解離定数(Pka)
- 1.55 · 1.55±0.59(Predicted)
- 水溶解度
- 17.8 μg/L · 17.8μg/L at 25℃
- InChI
- InChI=1S/C18H15N5O5/c1-9(24)15(23-22-12-5-3-2-4-11(12)17(26)27)16(25)19-10-6-7-13-14(8-10)21-18(28)20-13/h2-8,15H,1H3,(H,19,25)(H,26,27)(H2,20,21,28)
- InChIKey
- YMFWVWDPPIWORA-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=CC=C1N=NC(C(NC1=CC=C2NC(=O)NC2=C1)=O)C(=O)C
- LogP
- 1.07 at · 1.07 at 25℃
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% (519 of 519) of all reports.
Not Classified
Aggregated GHS information provided per 519 reports by companies from 2 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (68 of 68) of all reports.
Not Classified
Aggregated GHS information provided per 68 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Benzoic acid, 2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]-
Benzoic acid, 2-[2-[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]diazenyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-[2-[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]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)
Status: Active Update: 28-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14770
Benzoic acid, 2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzoic acid, 2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]-: Human health tier I assessment
Hazard Classes and Categories
Not Classified
Not Classified
安全データ
- tsca
- TSCA listed
- 化審法
- 新規公示化学物質（2011年3月31日以前届出）
化学と産業
用途と製造
UsesPlastics -> Typical concentration range in plastic materials -> 2%
U.S. Production2023: 550,000 - <700,000 lb
Consumer UsesPigment
Industry UsesPigment
Use Classification
Plastics -> Pigments agents
Plastics -> Polymer Type -> Polyolefin-I; Polyolefin-II; PVC (soft); ABS; PVC (rigid); (E)PS
General Manufacturing Information
Furniture and Related Product Manufacturing
Benzoic acid, 2-[2-[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]diazenyl]-: ACTIVE
上流・下流製品情報
上流原料
サプライヤー35 社
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
関連反応
3 件
化合物ノート
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