N-(2-ヒドロキシ-3,5-ジクロロ-4-エチルフェニル)-2-[2,4-ビス(tert-ペンチル)フェノキシ]ブチルアミド

2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide

HCID 175569

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 93951-12-3
標準SMILES: CCc1c(Cl)cc(NC(=O)C(CC)Oc2ccc(C(C)(C)CC)cc2C(C)(C)CC)c(O)c1Cl
InChIKey: LFDFDMAPABBGSE-UHFFFAOYSA-N
分子式: C28H39Cl2NO3
平均分子量: 508.5 g/mol
単同位体質量: 507.23069947

概要

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名称と識別子

優先名称: 2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide
IUPAC: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide
現地名: N-(2-ヒドロキシ-3,5-ジクロロ-4-エチルフェニル)-2-[2,4-ビス(tert-ペンチル)フェノキシ]ブチルアミド
英語名: 2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide
分子式: C28H39Cl2NO3
分子量: 508.52

名称と別名

2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramideEINECS 300-634-0DTXSID10869160Butanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[2,4-bis(tert-pentyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramideButanamide, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-RefChem:451884DTXCID30817183300-634-093951-12-32-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamideSCHEMBL3429177

名称をさらに表示

N-(2-ヒドロキシ-3,5-ジクロロ-4-エチルフェニル)-2-[2,4-ビス(tert-ペンチル)フェノキシ]ブチルアミドN-(3,5-ジクロロ-2-ヒドロキシ-4-エチルフェニル)-2-(2,4-ジ-tert-ペンチルフェノキシ)ブタンアミドN-(2-ヒドロキシ-3,5-ジクロロ-4-エチルフェニル)-2-(2,4-ジ-tert-ペンチルフェノキシ)ブタンアミドN-(3,5-ジクロロ-4-エチル-2-ヒドロキシフェニル)-2-[2,4-ビス(1,1-ジメチルプロピル)フェノキシ]ブチルアミド３’，５’ジクロロ２（２，４ジｔｅｒｔペンチルフェノキシ）４’エチル２’ヒドロキシブチルアニリド3’，5’-ジクロロ-2-（2，4-ジ-tert-ペンチルフェノキシ）-4’-エチル-2’-ヒドロキシブチルアニリド2-[2,4-ビス(2-メチルブタン-2-イル)フェノキシ]-N-(3,5-ジクロロ-4-エチル-2-ヒドロキシフェニル)ブタンアミド3′,5′-ジクロロ-2-(2,4-ジ-tert-ペンチルフェノキシ)-4′-エチル-2′-ヒドロキシブチルアニリド2,4-dichloro-3-ethy2-[2,4-bis(tert-pentyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hy...2-[α-(2,4-di-tert-amylphenoxy)butyramide]-4,6-di-chloro-5-ethylphenol2-[a-(2,4-di-tert-pentylphenoxy)butyramide]-4,6-dichloro-5-ethylphenol2-[α-（2,4-Di-tert-pentylphenoxy）butyramide]-4,6-dichloro-5-ethylphenol2-[Α-(2,4-Di-Tert-Pentylphenoxy)Butyramide]-4,6-Dichloro-5- Ethylphenol2-[ALPHA-(2,4-DI-TERT-AMYLPHENOXY)BUTYRAMIDE]-4,6-DICHLORO-5-ETHYLPHENOL2-[2,4-Bis-(1,1-dimethylpropyl)-phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyp3',5'-Dichloro-2-(2,4-di-tert-pentylphenoxy)-4'-ethyl-2'-hydroxybutyranilideN-(3,5-Dichloro-2-hydroxy-4-ethylphenyl)-2-(2,4-di-tert-pentylphenoxy)butanamide

AKOS015900493NS000645562-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[(3,5-dichloro-4-ethyl-2-hydroxyphenyl)] Butanamide2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[(3,5-dichloro-4-ethyl-2-hydroxyphenyl)]Butanamide

データベース識別子

CAS: 93951-12-3
PubChem CID: 175569
DTXSID: DTXSID10869160
EC Number: 300-634-0
Nikkaji: J93.731B

物性

構造計算による物性

XLogP: 9.8
極性表面積: 58.6 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 10
重原子数: 34
形式電荷: 0
複雑度: 656

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

沸点: 597 · 597.0±50.0 °C(Predicted)
比重(密度): 1.14 · 1.140±0.06 g/cm3(Predicted)
酸解離定数(Pka): 7.39 · 7.39±0.50(Predicted)
EPAの化学物質情報: 2 · Butanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)- (93951-12-3)

安全と法規制

GHS分類

GHS Classification · 4 件

This chemical does not meet GHS hazard criteria for 7.3% (3 of 41) of reports.

H413 (92.7%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 27-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29644

Hazard Classes and CategoriesAquatic Chronic 4 (92.7%)

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

General Manufacturing InformationButanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-: ACTIVE

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