基本情報
- CAS
36978-41-3- 標準SMILES
O=C1OC(=O)c2cc(-c3cccc4c3C(=O)OC4=O)ccc21- InChIKey
FYYYKXFEKMGYLZ-UHFFFAOYSA-N- 分子式
- C16H6O6
- 平均分子量
- 294.21 g/mol
- 単同位体質量
- 294.01643791
名称と識別子
- 優先名称
- [4,5'-Biisobenzofuran]-1,1',3,3'-tetrone
- IUPAC
- 4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione
- 現地名
- 1,1'-ビフェニル-2,3,3',4'-テトラカルボン酸2,3:3',4'-二無水物
- 英語名
- 2,3,3,4-biphenyl tetracarboxylic dianhydride
- 分子式
- C16H6O6
- 分子量
- 294.22
名称と別名
[4,5'-Biisobenzofuran]-1,1',3,3'-tetrone3,4'-biphthalic anhydride(4,5'-Biisobenzofuran)-1,1',3,3'-tetroneDTXSID1068015RefChem:550983DTXCID5039274811-539-336978-41-3[4,5'-Biisobenzofuran]-1,1',3,3'-tetraone2,3,3,4-biphenyl tetracarboxylic dianhydride2,3,3',4'-Biphenyltetracarboxylic dianhydride4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione
名称をさらに表示
4,5'-ビ[イソベンゾフラン-1,3-ジオン]1,1'-ビフェニル-2,3,3',4'-テトラカルボン酸2,3:3',4'-二無水物4,5'-ビイソベンゾフラン-1,1',3,3'-テトラオン4,5'-ビ[イソベンゾフラン]-1,1',3,3'-テトラオン4,5'-ビ(1,3-イソベンゾフランジオン)1,1'-ビフェニル-2,3,3',4'-テトラカルボン酸2,3:3',4'-ジ無水物4,5'-ビ(イソベンゾフラン-1,3-ジオン)ビフェニル-2,3,3',4'-テトラカルボン酸2,3:3',4'-二無水物1,1'-ビフェニル-2,3,3',4'-テトラカルボン酸2,3:3',4'-ビス無水物2,3,3',4'-ビフェニルテトラカルボン酸2,3:3',4'-二無水物3,4'-ビフタル酸無水物4,5′-ビイソベンゾフラン-1,1′,3,3′-テトラオン2,3,3′,4′-ビフェニルテトラカルボン酸2,3:3′,4′-二無水物1,1′-ビフェニル-2,3,3′,4′-テトラカルボン酸2,3:3′,4′-二無水物
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 86.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 1
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 567
物理化学的性質
- 融点
- 199 °C · 199 °C
- 沸点
- 609.3 · 609.3±48.0 °C(Predicted)
- 比重(密度)
- 1.625 · 1.625±0.06 g/cm3(Predicted)
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 外見
- powder to crystal
- 色
- White to Almost white
- InChI
- InChI=1S/C16H6O6/c17-13-9-5-4-7(6-11(9)15(19)21-13)8-2-1-3-10-12(8)16(20)22-14(10)18/h1-6H
- InChIKey
- FYYYKXFEKMGYLZ-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C(C3C=CC4C(=O)OC(=O)C=4C=3)=CC=C2)C(=O)O1
- CAS データベース
- 36978 · 36978-41-3(CAS DataBase Reference)
- EPAの化学物質情報
- 4 · [4,5'-Biisobenzofuran]-1,1',3,3'-tetrone (36978-41-3)
化学的性質
化学的特性White to Almost white powder to crystal.
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- tsca
- TSCA listed
- hs_code
- 2922498590
- 化審法
- (4)-1371
化学と産業
用途と製造
General Manufacturing Information[4,5'-Biisobenzofuran]-1,1',3,3'-tetrone: ACTIVE
応用分野
説明2,3,3,4-biphenyl tetracarboxylic dianhydride, also known as a-BPDA, is a high-performance polymer with excellent heat resistance, solvent resistance, radiation resistance, and impressive mechanical and dielectric properties. It holds great potential for applications across numerous industries and material fields.
使用2,3,3',4'-Biphenyltetracarboxylic dianhydride be used for the preparation of a polyimide material.
調製方法
製造方法The preparation of 2,3,3',4'-biphenyl tetracarboxylic dianhydride is as follows:In a 1000 ml three-necked flask, 18.3 g (0.1 mol) of 4-chlorophthalic anhydride and 18.3 g (0.1 mol) were added 3-chlorophthalic anhydride, 300 g of anisole as solvent, 0.13 g (0.001 mol) of nickel chloride as a catalyst, 0.198 g (0.001 mol) of C-1 as a catalyst ligand, and 0.03 g (0.0003 mol) of sodium bromide as a catalyst Auxiliary, 13 g (0.2 mol) of zinc powder was used as a reducing agent, and the reaction was stirred at 30 ° C for 8 hours under a nitrogen atmosphere. The reaction solution was filtered to remove insoluble solids in the reaction liquid. 300 g of methanol was added to the filtration mother liquor, and the product was precipitated, filtered, and dried to obtain 25.8 g of the product 2,3,3',4'-biphenyltetracarboxylic dianhydride, yield 87.7%.
上流・下流製品情報
上流原料
関連反応
2 件
化合物ノート
読み込み中…