2,2''-Dihydroxy-4,4''-(2-hydroxy-propane-1,3-diyldioxy)dibenzophenone

HCID 1242235CAS 23911-85-5

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(c1ccccc1)c1ccc(OCC(O)COc2ccc(C(=O)c3ccccc3)c(O)c2)cc1O
InChIKey: VZYBFCDYFROPPK-UHFFFAOYSA-N
分子式: C29H24O7
平均分子量: 484.5 g/mol
単同位体質量: 484.15220311

概要

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名称と識別子

優先名称: 2,2''-Dihydroxy-4,4''-(2-hydroxy-propane-1,3-diyldioxy)dibenzophenone
IUPAC: [4-[3-(4-benzoyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-2-hydroxyphenyl]-phenylmethanone
英語名: 2,2"-Dihydroxy-4,4"-2(hydroxypropane-1,3-diyldioxy)dibenzophenone
分子式: C29H24O7
分子量: 484.5

名称と別名

EC 424-210-02,2''-dihydroxy-4,4''-(2-hydroxy-propane-1,3-diyldioxy)dibenzophenoneRefChem:439967424-210-023911-85-51,3-Bis(4-benzoyl-3-hydroxyphenoxy)-2-propanol[4-[3-(4-benzoyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-2-hydroxyphenyl]-phenylmethanoneCHEMBL179185[4-[3-(4-benzoyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-2-hydroxy-phenyl]-phenyl-methanone{4-[3-(4-Benzoyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-2-hydroxy-phenyl}-phenyl-methanoneOprea1_610677SCHEMBL9208030

名称をさらに表示

2,2"-Dihydroxy-4,4"-2(hydroxypropane-1,3-diyldioxy)dibenzophenoneMethanone, [(2-hydroxy-1,3-propanediyl)bis[oxy(2-hydroxy-4,1-phenylene)]]bis[phenyl-(((2-hydroxypropane-1,3-diyl)bis(oxy))bis(2-hydroxy-4,1-phenylene))bis(phenylmethanone)Methanone, 1,1'-[(2-hydroxy-1,3-propanediyl)bis[oxy(2-hydroxy-4,1-phenylene)]]bis[phenyl-

SCHEMBL30069001DTXSID20361327BDBM50162340AKOS024273477ST000254NS000777111,3-bis-(3-hydroxy-4-benzoylphenoxy)-2-propanol1,3-bis-(4-benzoyl-3-hydroxyphenoxy)-2-propanol

データベース識別子

CAS: 23911-85-5
PubChem CID: 1242235
DTXSID: DTXSID20361327
ChEMBL: CHEMBL179185
EC Number: 424-210-0

物性

構造計算による物性

XLogP: 6
極性表面積: 113 Å²
水素結合供与体数: 3
水素結合受容体数: 7
回転可能結合数: 10
重原子数: 36
形式電荷: 0
複雑度: 642

安全と法規制

GHS分類

GHS Classification · 6 件

H413: 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)

H413 (100%): 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 7 reports by companies from 1 notifications to the ECHA C&L Inventory.

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

危険有害性情報

Regulatory InformationStatus: Active Update: 04-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13490

Hazard Classes and Categories · 3 件

Aquatic Chronic 4 (100%)

Hazardous to the aquatic environment (chronic) - category 4

Aquatic Chronic 4

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H413

化学と産業

サプライヤー4 社

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]

上海韶屹生物科技有限公司21-21-31590156 13042155638 · [email protected]

XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]