2-[4-(dicyanomethylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile

• ChemBase编号: 8042
• 分子式: C12F4N4
• 平均质量: 276.1488128
• 单一同位素质量: 276.0059089
• SMILES: C(=c1c(c(c(=C(C#N)C#N)c(c1F)F)F)F)(C#N)C#N
• Canonical SMILES: N#CC(=c1c(F)c(F)c(=C(C#N)C#N)c(c1F)F)C#N
• InChI: InChI=1S/C12F4N4/c13-9-7(5(1-17)2-18)10(14)12(16)8(11(9)15)6(3-19)4-20
• InChIKey: IXHWGNYCZPISET-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[4-(dicyanomethylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile
• IUPAC传统名: 2-[4-(dicyanomethylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile
• 别名: (2,3,5,6-四氟-2,5-环己二烯-1,4-二亚基)二丙二腈; 2,3,5,6-四氟-7,7',8,8'-四氰二甲基对苯醌; 2,3,5,6-四氟-7,7,8,8-四氰二甲基对苯醌; 2,2'-(2,3,5,6-Tetrafluorocyclohexa-2,5-diene-1,4-diylidene)dipropane-1,3-dinitrile; 2,3,5,6-Tetrafluorotetracyanoquinodimethane 98+%; F4TCNQ; (2,3,5,6-Tetrafluoro-2,5-cyclohexadiene-1,4-diylidene)dimalononitrile; 7,7,8,8-Tetracyano-2,3,5,6-tetrafluoroquinodimethane; 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane; 2,3,5,6-Tetrafluorotetracyanoquinodimethane

登记号

• CAS号: 29261-33-4
• MDL号: MFCD00042382
• Beilstein号: 2157887
• PubChem SID: 160971349; 24863463
• PubChem CID: 2733307

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.15077825
• LogD (pH = 7.4): -0.15077825
• Log P: -0.15077825
• 摩尔折射率: 61.6996 cm^3
• 极化性: 19.95374 Å^3
• 极化表面积: 95.16 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 285-290 °C(lit.); 291°C; 291(dec.)°C

安全信息

• 保存注意事项: TOXIC; Toxic/Harmful
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 3439
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 23/24/25
• 安全公开号: 22-24/25-36/37
• TSCA收录: false
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H311-H331
• GHS警示性声明: P261-P280-P301 + P310-P311
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3439 6.1/PG 3

产品相关信息

• 纯度: 95%; 97%
• Empirical Formula (Hill Notation): C12F4N4

详细说明

Apollo Scientific Ltd - PC6914

Organic electronic material

Sigma Aldrich - 376779

包装
25, 100 mg in glass bottle