基本情報
- CAS
5280-68-2- 標準SMILES
COc1cc(NC(=O)c2cc3ccccc3c(N=Nc3cc(C(=O)Nc4ccccc4)ccc3OC)c2O)c(OC)cc1Cl- InChIKey
HEKSHDRHZRCZBN-UHFFFAOYSA-N- 分子式
- C33H27ClN4O6
- 平均分子量
- 611 g/mol
- 単同位体質量
- 610.1619123
名称と識別子
- 優先名称
- 2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[2-[2-methoxy-5-[(phenylamino)carbonyl]phenyl]diazenyl]-
- IUPAC
- N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
- 現地名
- N-(4-クロロ-2,5-ジメトキシフェニル)-3-ヒドロキシ-4-[[2-メトキシ-5-[(フェニルアミノ)カルボニル]フェニル]アゾ]-2-ナフタレンカルボアミド
- 英語名
- Pigment Red 146
- 分子式
- C33H27ClN4O6
- 分子量
- 611.04
名称と別名
DTXSID3063754EINECS 226-103-2N-(4-Chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-((2-methoxy-5-((phenylamino)carbonyl)phenyl)azo)naphthalene-2-carboxamideEC 226-103-2N-(4-Chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-((2-methoxy-5-((phenylamino)carbonyl)phenyl)azo)-2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-(2-(2-methoxy-5-((phenylamino)carbonyl)phenyl)diazenyl)-2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-2-methoxy-5-(phenylamino)carbonylphenylazo-226-103-22-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[2-[2-methoxy-5-[(phenylamino)carbonyl]phenyl]diazenyl]-RefChem:476557
名称をさらに表示
N-(4-クロロ-2,5-ジメトキシフェニル)-3-ヒドロキシ-4-[[2-メトキシ-5-[(フェニルアミノ)カルボニル]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
- 7.4
- 極性表面積
- 131 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 8
- 回転可能結合数
- 9
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 982
実験および物理化学的性質
Polymers
Plastics -> Pigments agents
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder; Liquid; Dry Powder; CBI
物理化学的性質
- 沸点
- 719.5 · 719.5±60.0 °C(Predicted)
- 比重(密度)
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 貯蔵温度
- 4 °C, · 4°C, Inert atmosphere
- 酸解離定数(Pka)
- 10.06 · 10.06±0.70(Predicted)
- InChIKey
- HEKSHDRHZRCZBN-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=CC=C2)=C(N=NC2=CC(C(NC3=CC=CC=C3)=O)=CC=C2OC)C(O)=C1C(NC1=CC(OC)=C(Cl)C=C1OC)=O
- CAS データベース
- 5280 · 5280-68-2(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · 2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]- (5280-68-2)
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% (507 of 507) of all reports.
Not Classified
Aggregated GHS information provided per 507 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-
2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[2-[2-methoxy-5-[(phenylamino)carbonyl]phenyl]diazenyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[2-[2-methoxy-5-[(phenylamino)carbonyl]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-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]naphthalene-2-carboxamide (EC: 226-103-2)
2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-2-methoxy-5-(phenylamino)carbonylphenylazo-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
Uses
Plastics -> Typical concentration range in plastic materials -> 2%
Substance listed with specific concentration in tattoo ink and/or permanent make up according to EU Commission Regulation 2020/2081. The concentration limit (by weight) is 0.1%.
U.S. Production2023: 50,000 - <75,000 lb
Consumer UsesPigment
Industry UsesPigment
Household ProductsInformation on 17 consumer products that contain CI Pigment Red 146 in the following categories is provided:
Use Classification
Plastics -> Pigments agents
Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
General Manufacturing Information
Printing Ink Manufacturing
2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[2-[2-methoxy-5-[(phenylamino)carbonyl]phenyl]diazenyl]-: ACTIVE
応用分野
使用Pigment Red 146 can be used for aqueous inkjet set and inkjet printing.
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