38,38-dichloro-9,18,27,36,37,39,40,41-octaaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11(16),12,14,17(41),18,20,22,24,26,28(40),29(34),30,32,35-nonadecaene

• ChemBase编号: 148686
• 分子式: C32H16Cl2N8Si
• 平均质量: 611.51454
• 单一同位素质量: 610.06442444
• SMILES: c1cc2c3n4c(c2cc1)N=C1N=C(N=c2n(c(=NC5=NC(=N3)c3c5cccc3)c3c2cccc3)[Si]4(Cl)Cl)c2c1cccc2
• Canonical SMILES: Cl[Si]1(Cl)n2c3N=C4N=C(N=c5n1c(=NC1=NC(=Nc2c2c3cccc2)c2c1cccc2)c1c5cccc1)c1c4cccc1
• InChI: InChI=1S/C32H16Cl2N8Si/c33-43(34)41-29-21-13-5-6-14-22(21)31(41)39-27-19-11-3-4-12-20(19)28(36-27)40-32-24-16-8-7-15-23(24)30(42(32)43)38-26-18-10-2-1-9-17(18)25(35-26)37-29/h1-16H
• InChIKey: NURIJECXIAPSAM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 38,38-dichloro-9,18,27,36,37,39,40,41-octaaza-38-siladecacyclo[17.17.3.1^1^0,^1^7.1^2^8,^3^5.0^2,^7.0^8,^3^7.0^1^1,^1^6.0^2^0,^2^5.0^2^6,^3^9.0^2^9,^3^4]hentetraconta-1,3,5,7,9,11(16),12,14,17(41),18,20,22,24,26,28(40),29(34),30,32,35-nonadecaene
• IUPAC传统名: 38,38-dichloro-9,18,27,36,37,39,40,41-octaaza-38-siladecacyclo[17.17.3.1^1^0,^1^7.1^2^8,^3^5.0^2,^7.0^8,^3^7.0^1^1,^1^6.0^2^0,^2^5.0^2^6,^3^9.0^2^9,^3^4]hentetraconta-1,3,5,7,9,11(16),12,14,17(41),18,20,22,24,26,28(40),29(34),30,32,35-nonadecaene
• 别名: 二氯(29H,31H-酞菁)硅; 二氯酞菁硅; 酞菁二氯化硅; Dichloro(29H,31H-phthalocyaninato)silicon; Phthalocyaninato-dichlorosilane; Silicon phthalocyanine dichloride

登记号

• CAS号: 19333-10-9
• EC号: 242-969-4
• MDL号: MFCD00010723
• Beilstein号: 600612
• PubChem SID: 24888343; 24857290; 162242861
• PubChem CID: 4231103

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 7.5257993
• LogD (pH = 7.4): 7.5257998
• Log P: 7.5258
• 摩尔折射率: 169.2254 cm^3
• 极化性: 67.86231 Å^3
• 极化表面积: 87.2 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

分子性质

理化性质

• 紫外吸收波长: λmax 702 nm

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ~85% (AT)
• 级别: technical
• 主要成分: Dye content, ~85%
• 杂质: ~10% SiO2
• Empirical Formula (Hill Notation): C32H16Cl2N8Si

详细说明

Sigma Aldrich - 287768

Other Notes
残留有 SiO2
包装
1, 5 g in glass bottle

Sigma Aldrich - 85366

Other Notes
制备双有机聚酞菁硅的原料1；制备聚合酞菁2,3；制备堆叠酞菁硅4