2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-ol

• ChemBase编号: 7694
• 分子式: C7H4F12O
• 平均质量: 332.0868984
• 单一同位素质量: 332.00705339
• SMILES: OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7H4F12O/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-20/h2,20H,1H2
• InChIKey: BYKNGMLDSIEFFG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-ol
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-ol
• 别名: 1H,1H,7H-十二氟-1-庚醇; 1H,1H,7H-Perfluoroheptan-1-ol 98%; 1H,1H,7H-Perfluoro-1-heptanol; 1H,1H,7H-Dodecafluoro-1-heptanol; 1H,1H,7H-Dodecafluoro-1-heptanol

登记号

• CAS号: 335-99-9
• EC号: 206-406-6
• MDL号: MFCD00039630
• Beilstein号: 1800110
• PubChem SID: 160971001
• PubChem CID: 67639

理论计算性质

• Acid pKa: 12.621079
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 3.4509723
• LogD (pH = 7.4): 3.4509697
• Log P: 3.4509723
• 摩尔折射率: 36.1617 cm^3
• 极化性: 14.404561 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -20°C; -20°C
• 沸点: 169-170°C; 169-170°C
• 闪点: None
• 密度: 1.762
• 折射率: 1.318; 1.3180

安全信息

• 保存注意事项: Irritant
• RTECS编号: MJ4500000
• TSCA收录: false; 是

产品相关信息

• 纯度: 97%

详细说明

MP Biomedicals - 05201256

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC3130

Contains upto 6% H(CF2CF2)nCHOH(CF2CF2)mH where m+n=3; Surface tension 23.8 dynes/cm@20C;