4,4'-Dimethoxyoctafluorobiphenyl
(Synonyms: 4,4'-二甲氧基八氟联苯) 目录号 : GC42323
A compound for studying rotational dynamics
Cas No.:2200-71-7
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >95.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
4,4'-Dimethoxyoctafluorobiphenyl is a compound that has been used to investigate the relationship between intramolecular rotational dynamics and molecular and crystal structure using NMR spin-lattice relaxation experiments.
| Cas No. | 2200-71-7 | SDF | |
| 别名 | 4,4'-二甲氧基八氟联苯 | ||
| Canonical SMILES | COC1=C(F)C(F)=C(C2=C(F)C(F)=C(OC)C(F)=C2F)C(F)=C1F | ||
| 分子式 | C14H6F8O2 | 分子量 | 358.2 |
| 溶解度 | DMF: 30 mg/mL,DMSO: 20 mg/mL,Ethanol: 30 mg/mL,Ethanol:PBS (pH 7.2)(1:2): 0.3 mg/mL | 储存条件 | Store at -20°C |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
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1 mg | 5 mg | 10 mg |
| 1 mM | 2.7917 mL | 13.9587 mL | 27.9174 mL |
| 5 mM | 0.5583 mL | 2.7917 mL | 5.5835 mL |
| 10 mM | 0.2792 mL | 1.3959 mL | 2.7917 mL |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
计算结果:
工作液浓度： mg/ml；
DMSO母液配制方法： mg 药物溶于 μL DMSO溶液（母液浓度 mg/mL，
体内配方配制方法：取 μL DMSO母液，加入 μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入 μL saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
Nonexponential solid state 1H and 19F spin-lattice relaxation, single-crystal X-ray diffraction, and isolated-molecule and cluster electronic structure calculations in an organic solid: coupled methyl group rotation and methoxy group libration in 4,4'-Dimethoxyoctafluorobiphenyl
J Phys Chem A 2012 Dec 6;116(48):11946-56.PMID:23098094DOI:10.1021/jp3075892
We investigate the relationship between intramolecular rotational dynamics and molecular and crystal structure in 4,4'-Dimethoxyoctafluorobiphenyl. The techniques are electronic structure calculations, X-ray diffractometry, and (1)H and (19)F solid state nuclear magnetic resonance relaxation. We compute and measure barriers for coupled methyl group rotation and methoxy group libration. We compare the structure and the structure-motion relationship in 4,4'-Dimethoxyoctafluorobiphenyl with the structure and the structure-motion relationship in related compounds in order to observe trends concerning the competition between intramolecular and intermolecular interactions. The (1)H spin-lattice relaxation is nonexponential in both the high-temperature short-correlation time limit and in the low-temperature long-correlation time limit, albeit for different reasons. The (19)F spin-lattice relaxation is nonexponential at low temperatures and it is exponential at high temperatures.