基本情報
- CAS
474510-57-1- 標準SMILES
CC(C)(O)C(=O)c1ccc(Cc2ccc(C(=O)C(C)(C)O)cc2)cc1- InChIKey
PCKZAVNWRLEHIP-UHFFFAOYSA-N- 分子式
- C21H24O4
- 平均分子量
- 340.4 g/mol
- 単同位体質量
- 340.16745925
概要
See other relationships...
名称と識別子
- 優先名称
- Bis(4-(2-hydroxy-2-methylpropionyl)phenyl)methane
- IUPAC
- 2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
- 現地名
- 1,1′-[メチレンビス(4,1-フェニレン)]ビス(2-メチル-2-ヒドロキシ-1-プロパノン)
- 英語名
- 1,1'-(Methylene-di-4,1-phenylene)bis[2-hydroxy-2-methyl-1-propanone]
- 分子式
- C21H24O4
- 分子量
- 340.41
名称と別名
Irgacure 127IZJ9BVRDO72-Hydroxy-1-(4-(4-(2-hydroxy-2-methylpropionyl)benzyl)phenyl)-2-methylpropan-1-oneEC 444-860-9Bis(4-(2-hydroxy-2-methylpropionyl)phenyl)methane1-Propanone, 1,1'-(methylene-di-4,1-phenylene)bis[2-hydroxy-2-methyl-1-PROPANONE, 1,1'-(METHYLENE-DI-4,1-PHENYLENE)BIS(2-HYDROXY-2-METHYL-Bis[4-(2-hydroxy-2-methylpropionyl)phenyl]methaneRefChem:568870444-860-9474510-57-11,1'-(Methylene-di-4,1-phenylene)bis[2-hydroxy-2-methyl-1-propanone]
名称をさらに表示
1,1′-[メチレンビス(4,1-フェニレン)]ビス(2-メチル-2-ヒドロキシ-1-プロパノン)2-ヒドロキシ-1-(4-{[4-(2-ヒドロキシ-2-メチルプロパノイル)フェニル]メチル}フェニル)-2-メチルプロパン-1-オンOmnirad 127DPI-127OMNIRAD 127photoinitiator 127former IRGACURE 1271,1'-(Methylene-di-4,1-phenylene)bis[2-hydroxy-2-methyl-1-propanone
1,1'-(Methylenebis(4,1-phenylene))bis(2-hydroxy-2-methylpropan-1-one)MFCD166211052-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-oneDTXSID406215911,1'-[Methylenebis(4,1-phenylene)]bis(2-hydroxy-2-methyl-1-propanone)1,1'-[Methylenedi(4,1-phenylene)]bis(2-hydroxy-2-methylpropan-1-one)2-hydroxy-1-(4-{[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl}phenyl)-2-methylpropan-1-one1,1'-[Methylenebis(4,1-phenylene)]bis(2-hydroxy-2-methylpropan-1-one)
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 74.6 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
- 6
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 434
物理化学的性質
- 融点
- 91.3 · 91.3-92.0 °C
- 沸点
- 525.6 · 525.6±50.0 °C(Predicted)
- 比重(密度)
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 1.577 · 1.577
- 闪点
- 285 oC · 285 oC
- 酸解離定数(Pka)
- 12.61 · 12.61±0.29(Predicted)
- 外見
- solid
- 色
- White to yellow
- 水溶解度
- 9.9 mg/L · 9.9mg/L at 20℃
- InChI
- InChI=1S/C21H24O4/c1-20(2,24)18(22)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(23)21(3,4)25/h5-12,24-25H,13H2,1-4H3
- InChIKey
- PCKZAVNWRLEHIP-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(C(=O)C(O)(C)C)C=C1)C1=CC=C(C(=O)C(O)(C)C)C=C1
- LogP
- 2.3 at · 2.3 at 25℃
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
Warning
H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P273, P319, P391, and P501 (click each P-code to see the statement)
Warning
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P273, P319, P391, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 1-Propanone, 1,1'-(methylene-di-4,1-phenylene)bis[2-hydroxy-2-methyl-
REACH registered substance: 2-hydroxy-1-(4-(4-(2-hydroxy-2-methylpropionyl)benzyl)phenyl)-2-methylpropan-1-one (EC: 444-860-9)
1-Propanone, 1,1'-(methylene-di-4,1-phenylene)bis[2-hydroxy-2-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
STOT RE 2 (100%)
Specific target organ toxicity (repeated exposure) - category 2
STOT RE 2 *
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 H373
化学と産業
応用分野
使用Irgacure 127 is a difunctional radical photoinitiator. It has been used as an initiator in the preparation and characterization of molecularly imprinted polymers based on thiourea receptors for nitro compound recognition.
上流・下流製品情報
上流原料
下流製品
サプライヤー72 社
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
関連反応
2 件
化合物ノート
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