基本情報
- CAS
4733-39-5- 標準SMILES
Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1- InChIKey
STTGYIUESPWXOW-UHFFFAOYSA-N- 分子式
- C26H20N2
- 平均分子量
- 360.4 g/mol
- 単同位体質量
- 360.16264865
概要
reagent for copper; RN given refers to parent cpd
名称と識別子
- 優先名称
- Bathocuproine
- IUPAC
- 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline
- 現地名
- バトクプロイン
- 英語名
- Bathocuproine
- 分子式
- C26H20N2
- 分子量
- 360.45
名称と別名
Bathocuproine4733-39-52,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline1,10-Phenanthroline, 2,9-dimethyl-4,7-diphenyl-9THP2V94FXDTXSID4063585NSC-89195RefChem:561106DTXCID9040556225-240-5BathocuproinMFCD00004972
名称をさらに表示
バトクプロインバトクプロイン (D0711の精製品)バソクプロイン2,9-ジメチル-4,7-ジフェニル-1,10-フェナントロリン4,7-ジフェニル-2,9-ジメチル-1,10-フェナントロリンバトクプロイン (昇華精製品)バソクプロイン (昇華精製品)2,9-ジメチル-4,7-ジフェニル-1,10-フェナントロリン (昇華精製品)2,9‐ジメチル‐4,7‐ジフェニル‐1,10‐フェナントロリンBCPバソクプロイン, 昇華バソクプロイン, 昇華精製品2,9-ジメチル-4,7-ジフェニル-1,10-フェナンントロリン2,9-ジ-メチル-4,7-ジフェニル-1,10-フェナントロリンRMA-422BCP 157BLANC FIXE XRBathocuproineGrBathocuproin BCPEINECS 225-240-5BATHOCUPROINE AR
4,7-Diphenyl-2,9-dimethyl-1,10-phenanthrolineOprea1_173365STTGYIUESPWXOW-UHFFFAOYSA-2,7-diphenyl-1,10-phenanthroline1, 2,9-dimethyl-4,7-diphenyl-2,9-dimethyl-4,7-diphenylpyridino[3,2-h]quinoline2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline;Bathocuproin;2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline;2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline [BCP]NSC89195
データベース識別子
- CAS
4733-39-5- PubChem CID
- 65149
- DTXSID
DTXSID4063585- ChEMBL
CHEMBL220061- UNII
- 9THP2V94FX
- EC Number
- 225-240-5
- Nikkaji
- J8.767J
物性
構造計算による物性
- XLogP
- 6.5
- 極性表面積
- 25.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 461
実験および物理化学的性質
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
Physical DescriptionYellow powder; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 279 · 279-283 °C(lit.)
- 沸点
- 482.47 °C · 482.47°C (rough estimate)
- 比重(密度)
- 1.2408 · 1.2408 (rough estimate)
- 屈折率
- 1.762 · 1.7620 (estimate)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- ベンゼン(微熱)、DMSO(微熱)、メタノール(微熱)
- 外見
- 粉
- 酸解離定数(Pka)
- 5.88 · 5.88±0.30(Predicted)
- 色
- 黄色
- 水溶解度
- メタノール (36mg/100ml)、エタノール、2-プロパノール、ベンゼン、アセトンに可溶。水と部分的に混和する。
- BRN
- 306714 · 306714
- InChI
- InChI=1S/C26H20N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3-16H,1-2H3
- InChIKey
- STTGYIUESPWXOW-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=C3C=2N=C(C)C=C3C2=CC=CC=C2)C(C2=CC=CC=C2)=CC=1C
- CAS データベース
- 4733 · 4733-39-5(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1,10-Phenanthroline, 2,9-dimethyl-4,7-diphenyl- (4733-39-5)
化学的性質
化学的特性Yellow powder
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 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
Regulatory Information1,10-Phenanthroline, 2,9-dimethyl-4,7-diphenyl-: 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.
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339990
- risk_code
- 22-36/37/38-20/21/22
- 化審法
- (5)-1154
- hazard_code
- Xn
- safety_code
- 24/25-36-26-37/39
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 4
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Substances that eliminate free radicals. Among other effects, they protect PANCREATIC ISLETS against damage by CYTOKINES and prevent myocardial and pulmonary REPERFUSION INJURY.
用途と製造
UsesUsed as a reagent for copper; [ChemIDplus]
General Manufacturing Information1,10-Phenanthroline, 2,9-dimethyl-4,7-diphenyl-: ACTIVE
応用分野
用途銅の優れた抽出比色試薬
説明Organic photovoltaic cells (OPVCs) are considered to be promising devices because of their mechanical flexibility, ease of fabrication and potential for low-cost production. For small-molecule OPVCs the most-common material to use between the acceptor, here C60, and the top electrode, Al, is 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline, also known as bathocuproine. Indeed, the insertion of BCP results in an enhanced power-conversion efficiency (PCE). The improved power-conversion efficiency has been attributed to an increased exciton harvesting in the active layer. As BCP is a wide-band-gap material it acts as an exciton-blocking barrier (EBL) that prohibits excitons diffusing towards the Al electrode where they would otherwise be quenched.
使用Bathocuproine can be used as an electron-modifying layer or as an interlayer between ETLs (electron transport layers) in calcite solar cells, and it can be prepared by spin-coating deposition or vacuum thermal evaporation. The addition of Bathocuproine enhances the energy conversion efficiency of organic photovoltaic cells.
一般的な説明TGA/DSC Lot specific scans available upon request
調製方法
純化方法Purify it by recrystallisation from *benzene. [Smith & Wilkins Anal Chem 25 510 1953, Beilstein 23 III/IV 2160.]
サプライヤー100 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
中节能万润股份有限公司0535-6101880 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
宇瑞（上海）化学有限公司02150456736 18602143071 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海柏卡化学技术有限公司400-026-1533/(021) 6478-0600 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
吉林奥来德光电材料股份有限公司0431-85877181 · [email protected]
北京绿人科技有限责任公司010- 89781189-8112 18511583708
武汉卓嘉科技有限公司027-51118240 18627830133;13476056444 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
瀚商化工科技有限公司021-50521775 15800962688 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
深圳市飞鸣科技有限公司0755-85232577 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
北京研诺信诚化工有限公司86-10-82830276
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
上海复和化学科技有限公司0086-21-67651709 · [email protected]
常州创视电子科技有限公司+86 (519) 8829-2061 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
西安瑞联新材料股份有限公司029-68669089-8800 13087509181 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
广东鑫钰新材料股份有限公司0757-82582588 · [email protected]
陕西莱特光电科技有限公司+86 029 88320727-808
越林试剂021-62960152 · [email protected]
西安浴日光能科技有限公司029-81101199 +86-15702951000 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
郑州阿尔法化工有限公司0371-53732842 15981811963 · [email protected]
上海创赛科技有限公司400-6087598 15021221957 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
関連反応
53 件
化合物ノート
読み込み中…