基本情報
- CAS
59487-23-9- 標準SMILES
COc1cc(OC)c(NC(=O)c2cc3ccccc3c(N=Nc3cc(C(=O)Nc4ccc(C(N)=O)cc4)ccc3OC)c2O)cc1Cl- InChIKey
DZYFEMTUCDZMSP-UHFFFAOYSA-N- 分子式
- C34H28ClN5O7
- 平均分子量
- 654.1 g/mol
- 単同位体質量
- 653.1677259
名称と識別子
- 優先名称
- 2-Naphthalenecarboxamide, 4-((5-(((4-(aminocarbonyl)phenyl)amino)carbonyl)-2-methoxyphenyl)azo)-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-
- IUPAC
- 4-[[5-[(4-carbamoylphenyl)carbamoyl]-2-methoxyphenyl]diazenyl]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
- 現地名
- 4-[[5-[[[4-(アミノカルボニル)フェニル]アミノ]カルボニル]-2-メトキシフェニル]アゾ]-N-(5-クロロ-2,4-ジメトキシフェニル)-3-ヒドロキシ-2-ナフタレンカルボアミド
- 英語名
- 4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
- 分子式
- C34H28ClN5O7
- 分子量
- 654.07
名称と別名
4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide2-Naphthalenecarboxamide, 4-((5-(((4-(aminocarbonyl)phenyl)amino)carbonyl)-2-methoxyphenyl)azo)-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-Naphthalenecarboxamide, 4-(2-(5-(((4-(aminocarbonyl)phenyl)amino)carbonyl)-2-methoxyphenyl)diazenyl)-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-4-((5-(((4-(Aminocarbonyl)phenyl)amino)carbonyl)-2-methoxyphenyl)azo)-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide2-Naphthalenecarboxamide, 4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-Naphthalenecarboxamide, 4-[2-[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]diazenyl]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-RefChem:4764522-Naphthalenecarboxamide, 4-5-4-(aminocarbonyl)phenylaminocarbonyl-2-methoxyphenylazo-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-
物性
構造計算による物性
- XLogP
- 6.2
- 極性表面積
- 174 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 9
- 回転可能結合数
- 10
- 重原子数
- 47
- 形式電荷
- 0
- 複雑度
- 1,110
実験および物理化学的性質
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
物理化学的性質
- 沸点
- 803.3 · 803.3±65.0 °C(Predicted)
- 比重(密度)
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 溶解性
- 22.1 μg/L · 22.1μg/L in organic solvents at 20 ℃
- 酸解離定数(Pka)
- 10.13 · 10.13±0.70(Predicted)
- 水溶解度
- 8.9 μg/L · 8.9μg/L at 23℃
- LogP
- 0.4 at · 0.4 at 23℃
- EPAの化学物質情報
- 187 · C.I. Pigment Red 187 (59487-23-9)
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 59.3% (16 of 27) of all reports.
Warning
H335 (40.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P271, P304+P340, P319, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 27 reports by companies from 3 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, 4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-
Hazard Traits - Bioaccumulation; Environmental Persistence
REACH registered substance: 4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide (EC: 261-785-5)
2-Naphthalenecarboxamide, 4-5-4-(aminocarbonyl)phenylaminocarbonyl-2-methoxyphenylazo-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Naphthalenecarboxamide, 4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-: Human health tier I assessment
Hazard Classes and CategoriesSTOT SE 3 (40.7%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing Information2-Naphthalenecarboxamide, 4-[2-[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]diazenyl]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-: ACTIVE
サプライヤー4 社
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
武汉裕清嘉衡药业有限公司027-83855310 13476018176 · [email protected]
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