基本情報
- CAS
3317-67-7- 標準SMILES
[Co+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21- InChIKey
MPMSMUBQXQALQI-UHFFFAOYSA-N- 分子式
- C32H16CoN8
- 平均分子量
- 571.5 g/mol
- 単同位体質量
- 571.082986
名称と識別子
- 優先名称
- Cobalt phthalocyanine
- IUPAC
- cobalt(2+);2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
- 現地名
- フタロシアニンコバルト(II)
- 英語名
- COBALT(II) PHTHALOCYANINE
- 分子式
- C32H16CoN8
- 分子量
- 571.46
名称と別名
3317-67-7Cobalt phthalocyanineCobalt(II) phthalocyanineCobaltous phthalocyaninePhthalocyaninatocobalt(II)Cobalt(2+) phthalocyanineDTXSID5062972Cobalt, (29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-RefChem:127216DTXCID8038643222-012-7Cobalt phthalocyanin
名称をさらに表示
フタロシアニンコバルト(II)フタロシアニン/コバルト(II)コバルト(II)フタロシアニンフタロシアニンコバルトコバルトフタロシアニンフタロシアニンコバルト(II) (昇華精製品)コバルト(Ⅱ)フタロシアニンフタロシアニン コバルト(Ⅱ)COPCPCCOPigmentBlue75Cobalt PhtalocyaninePHTHALOCYANINE COBALTCobalt(II) phtalocyanineCOBALT(+2)PHTHALOCYANINE
Phthalocyanine Cobalt(II)MFCD00010718Cobalt(II) Phthalocyanine (purified by sublimation)(Phthalocyaninato(2-))cobaltNSC 187643Cobalt, [29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)-cobalt(2+);2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaeneC32H16CoN8
物性
構造計算による物性
- 極性表面積
- 79.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 8
- 回転可能結合数
- 0
- 重原子数
- 41
- 形式電荷
- 0
- 複雑度
- 709
実験および物理化学的性質
Chemical ClassesDyes -> Phthalocyanine Dyes
Physical DescriptionDark odorless powder; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 300 °C · >300 °C
- 比重(密度)
- 0.677 g/cm3 · 0.677g/cm3
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 1 mg/mL · DMSO: < 1 mg/mL (insoluble or slightly soluble)
- 外見
- 結晶
- 色
- 紫の
- 水溶解度
- 水に不溶。
- BRN
- 4121847 · 4121847
- 安定性
- 安定。強力な酸化剤とは相容れない。
- InChIKey
- MPMSMUBQXQALQI-UHFFFAOYSA-N
- SMILES
- N12[Co]N3C4N=C5C6C=CC=CC=6C(=N5)N=C1C1C=CC=CC=1C2=NC1=NC(C2C=CC=CC1=2)=NC3=C1C=4C=CC=C1 |c:16,27,39,t:4|
- LogP
- -1.1 · -1.1
- EPAの化学物質情報
- 29 H,31H-phthalocyaninato · Cobalt, [29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)- (3317-67-7)
化学的性質
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
This chemical does not meet GHS hazard criteria for 72.6% (127 of 175) of all reports.
Warning
H351 (25.1%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 175 reports by companies from 4 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationREACH registered substance: [29H,31H-phthalocyaninato-N29,N30,N31,N32]cobalt (EC: 222-012-7)
Hazards SummaryAn irritant; May cause skin sensitization; Suspected of causing genetic defects; [Alfa Aesar MSDS] See Cobaltocene.
Hazard Classes and CategoriesCarc. 2 (25.1%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- PRTR法
- 第一種指定化学物質
- hs_code
- 29339900
- risk_code
- 40
- 化審法
- (5)-4131
- 安衛法
- 57,57-2
- hazard_code
- Xn
- safety_code
- 36/37
化学と産業
用途と製造
General Manufacturing InformationCobalt, [29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)-: ACTIVE
応用分野
説明Cobalt phthalocynine (CoPc) is a member of metal phthalocyanines (MPcs) are frequently used in manyorganic electronic devices such as light-emitting diodes (LEDs), organic photovoltaics (OPVs), organic field-effect transistors (OFETs) and chemical sensors as a p-type semiconducting material. Compared to otherhole-injection layer (HIL) materials, most metal phthalocyanines are water and air stable, thermally stable, and nontoxic.They can be sublimed or sputtered with highly uniform, thin films on a variety of substrates. The synthesis of such materials are also relatively inexpensive and easy to prepare. The chemical structure of MPc allows tuning of its ionisation potential orHOMO levels by altering the central atom in Pc macrocycles.
使用Cobalt(II) phthalocyanine may be used to develop carbon black based electrocatalysts. CoPC may be used as an end capping agent of a hyperbranched poly(aryl ether ketone) to be used for oxidative decomposition of 2,4,6,-trichlorophenol. CoPC modified carbon paste may be used as indicators for electrocatalytic amperometric measurements. ZnO impregnated with CoPC may be used as a sensitizer to determine the photodegradation of cyanide in aqueous suspension. CoPC catalyzed aerobic regenerations of aldehydes and ketones have been investigated.
一般的な説明Cobalt(II) phthalocyanine (CoPC )is a metallopthalocyanine.
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