基本情報
- 標準SMILES
Cc1ccccc1NC(=O)c1cc2ccccc2c(N=Nc2cc(Cl)c(Cl)cc2Cl)c1O- InChIKey
JQNJCQYNSLCFAC-UHFFFAOYSA-N- 分子式
- C24H16Cl3N3O2
- 平均分子量
- 484.8 g/mol
- 単同位体質量
- 483.03080979
名称と識別子
- 優先名称
- Pigment Red 112
- IUPAC
- 3-hydroxy-N-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)diazenyl]naphthalene-2-carboxamide
- 現地名
- 3-ヒドロキシ-N-(2-メチルフェニル)-4-[(2,4,5-トリクロロフェニル)アゾ]-2-ナフタレンカルボアミド
- 英語名
- Pigment Red 112
- 分子式
- C24H16Cl3N3O2
- 分子量
- 484.76
名称と別名
名称をさらに表示
データベース識別子
- CAS
6535-46-2- PubChem CID
- 23034
- DTXSID
DTXSID1064403- UNII
- 6S30UYY7FD
- EC Number
- 229-440-3
- Nikkaji
- J34.060J
物性
構造計算による物性
- XLogP
- 8.2
- 極性表面積
- 74.1 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 4
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 681
実験および物理化学的性質
Polymers
Plastics -> (E)PS
Plastics -> Pigments agents
物理化学的性質
- 沸点
- 627.4 · 627.4±55.0 °C(Predicted)
- 比重(密度)
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 貯蔵温度
- Amber Vial, Refrigerator
- 外見
- 個体
- 酸解離定数(Pka)
- 11.94 · 11.94±0.70(Predicted)
- 色
- 赤
- 安定性
- 光に敏感
- 化粧品成分の機能
- 着色剤ヘアカラーリング
- LogP
- 6.187 · 6.187 (est)
- CAS データベース
- 6535 · 6535-46-2(CAS DataBase Reference)
- EPAの化学物質情報
- 112 · C.I. Pigment Red 112 (6535-46-2)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 52.3% (296 of 566) of all reports.
Warning
H317 (18%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 566 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)azo]-
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-4-[2-(2,4,5-trichlorophenyl)diazenyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-4-[2-(2,4,5-trichlorophenyl)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: 3-hydroxy-N-(o-tolyl)-4-[(2,4,5-trichlorophenyl)azo]naphthalene-2-carboxamide (EC: 229-440-3)
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)azo]-: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
Uses
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%.
Plastics -> Typical concentration range in plastic materials -> 2%
Use Classification
Cosmetics -> Cosmetic colorant; Hair dyeing
Plastics -> Pigments agents
Plastics -> Polymer Type -> (E)PS
General Manufacturing Information
Agriculture, Forestry, Fishing and Hunting
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-4-[2-(2,4,5-trichlorophenyl)diazenyl]-: ACTIVE
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