heptafluorobutanoyl 2,2,3,3,4,4,4-heptafluorobutanoate

• ChemBase编号: 9602
• 分子式: C8F14O3
• 平均质量: 410.0614448
• 单一同位素质量: 409.96238894
• SMILES: O=C(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8F14O3/c9-3(10,5(13,14)7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)8(20,21)22
• InChIKey: UFFSXJKVKBQEHC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: heptafluorobutanoyl 2,2,3,3,4,4,4-heptafluorobutanoate
• IUPAC传统名: heptafluorobutyric anhydride; HFBA
• 别名: 全氟丁酸酐; 七氟丁酸酐; Heptafluorobutyric anhydride; Heptafluorobutyric anhydride; HFAA; Perfluorobutanoic anhydride 99+%; Perfluorobutyric anhydride; HFBA; Heptafluorobutyric anhydride; Perfluorobutanoic anhydride 98%

登记号

• CAS号: 336-59-4
• EC号: 206-410-8
• MDL号: MFCD00000432
• Beilstein号: 856036
• PubChem SID: 24864629; 24887129; 24895419; 160972909
• PubChem CID: 67643

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.754709
• LogD (pH = 7.4): 4.754709
• Log P: 4.754709
• 摩尔折射率: 42.7744 cm^3
• 极化性: 17.03914 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -43 °C(lit.); -43°C; -43°C
• 沸点: 106-107°C; 108-109°C; 108-110 °C(lit.); 108-110°C; 108-110°C
• 闪点: none°C
• 密度: 1.653; 1.653 g/ml; 1.662; 1.665; 1.674 g/mL at 20 °C; 1.674 g/mL at 20 °C(lit.)
• 折射率: 1.2870; 1.3; n20/D 1.287(lit.)

安全信息

• 保存条件: 2-8°C, Desiccate
• 保存注意事项: Corrosive/Stench/Moisture Sensitive/Store under Argon/Keep Cold; Moisture Sensitive; MOISTURE SENSITIVE, HYGROSCOPIC, CORROSIVE
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 1760; 3265; UN3265
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 2X
• 危险公开号: 34; R:34
• 安全公开号: 26-36/37/39-45; 26-36/37/39-45-60; S:26-27/28-36/37/39-46-64
• 欧盟危险货物分类: C9
• 欧盟危险识别号(EUHIN): 8B
• 美国ERG指导号: 154
• TSCA收录: true; 是
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2
• 保存温度: room temp

产品相关信息

• 纯度: ≥98%; ≥99.0%; ≥99.0% (GC); 97%; 98%
• 级别: for derivatization; for GC derivatization
• 包装: ampule of 1 mL
• Derivatization reagent for: Acylations; Esterifications
• 线性分子式: (CF3CF2CF2CO)2O

详细说明

MP Biomedicals - 02151238

Derivatizing agent for gas chromatography and electron capture detection
1 ml = approx. 1.67 g

Apollo Scientific Ltd - PC4470

Useful for derivitisation of amines, alcohols, amino acids and other bioactive compounds for GC analysis.

Sigma Aldrich - 394912

包装
10×1, 5, 25 mL in ampule
GC-MS 分析合成肽立体异构体含量的衍生化试剂。2
Application
GC 衍生化试剂，用于制备氨基酸和其他生物活性化合物的挥发性衍生物。1

Sigma Aldrich - H1006

包装
10 amp in ampule
5, 25 mL in glass bottle

Sigma Aldrich - 77253

Other Notes
HFAA 可酰化胺、氨基酸和其他化合物。HFBA 衍生物具有强挥发性：用于气相色谱分离1,2

参考文献

• Reagent for the preparation of volatile heptafluorobutyryl derivatives of amines, alcohols, etc., for GC purposes: J. Chromat., 60, 134 (1971); 69, 157 (1972); 97, 19, 175 (1974); D. R. Knapp, Handbook of Analytical Derivatisation Reactions, Wiley, N.Y. (1979); Handbook of Derivatives for Chromatography, 2nd ed., K. Blau and J. M. Halket, Eds., Wiley, Chichester (1993).