2340-93-4 ((Benzene,1,2,3,4,5,6-hexakis(trifluoromethyl)-)

快速询单

结构式：

Benzene,1,2,3,4,5,6-hexakis(trifluoromethyl)-MOL文件

CAS号：

2340-93-4

英文名称：

Benzene,1,2,3,4,5,6-hexakis(trifluoromethyl)-

分子式：

C₁₂F₁₈

分子量：

486.099666595459

Benzene,1,2,3,4,5,6-hexakis(trifluoromethyl)-(2340-93-4)名称与标识符

名称

英文别名：

Benzene,1,2,3,4,5,6-hexakis(trifluoromethyl)-;Hexa[trifluoromethyl]benzene;1,2,3,4,5,6-hexakis(trifluoromethyl)benzene;Benzene, 1,2,3,4,5,6-hexakis(trifluoromethyl)-;1,2,3,4,5,6-Hexakis(trifluoromethyl)benzene #;DTXSID50289323;Benzene, hexakis(trifluoromethyl)-;SCHEMBL10600250;2340-93-4;hexakis(trifluoromethyl)benzene;NSC-60318;NSC60318;

标识符

InChIKey：

XJGMLRCIWIZTKI-UHFFFAOYSA-N

Inchi：

1S/C12F18/c13-7(14,15)1-2(8(16,17)18)4(10(22,23)24)6(12(28,29)30)5(11(25,26)27)3(1)9(19,20)21

SMILES：

FC(C1C(C(F)(F)F)=C(C(F)(F)F)C(C(F)(F)F)=C(C(F)(F)F)C=1C(F)(F)F)(F)F

Benzene,1,2,3,4,5,6-hexakis(trifluoromethyl)-(2340-93-4)物化性质

实验特性

LogP : 7.79940
PSA : 0.00000
折射率 : 1.31
沸点 : 117.6°C at 760 mmHg
闪点 : 40.9°C
密度 : 1.673

计算特性

精确分子量 : 485.97100
氢键供体数量 : 0
氢键受体数量 : 18
可旋转化学键数量 : 0
同位素质量 : 485.971258
重原子数量 : 30
复杂度 : 442
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 7.2
拓扑分子极性表面积 : 0

Benzene,1,2,3,4,5,6-hexakis(trifluoromethyl)-(2340-93-4)相关文献

1. Reactions of low-valent metal complexes with fluorocarbons. Part XVI. Hexakis(trifluoromethyl)benzene–nickel complexes
Jane Browning,C. S. Cundy,M. Green,F. G. A. Stone J. Chem. Soc. A 1971 448
2. Valence-bond isomer chemistry. Part I. The valence-bond isomers of hexakis(trifluoromethyl)- and hexakis(pentafluoroethyl)-benzenes
M. G. Barlow,R. N. Haszeldine,R. Hubbard J. Chem. Soc. C 1970 1232
3. Synthesis and crystal structure of bis(triethylphosphine)[hexakis-(trifluoromethyl)benzene]platinum, and of a nickelacycloheptatriene complex
J. Browning,M. Green,B. R. Penfold,J. L. Spencer,F. G. A. Stone J. Chem. Soc. Chem. Commun. 1973 31
4. Reactions of low-valent metal complexes with fluorocarbons. Part XXIX. Zerovalent nickel and platinum complexes with hexafluorobut-2-yne and hexakis(trifluoromethyl)benzene
Jane Browning,Michael Green,John L. Spencer,F. Gordon A. Stone J. Chem. Soc. Dalton Trans. 1974 97
5. Diels–Alder reactions of the para-bonded valence isomer of hexafluorobenzene and of the benzvalene isomer of hexakis(trifluoromethyl)benzene: pyrrole as a diene
M. G. Barlow,R. N. Haszeldine,R. Hubbard J. Chem. Soc. D 1969 301
6. Studies on organic fluorine compounds. Part 26. Diels–Alder reaction of hexakis(trifluoromethyl)bicyclo[2.2.0]hexa-2,5-diene
Yoshiro Kobayashi,Takaharu Nakano,Ryoji Takahashi,Itsumaro Kumadaki J. Chem. Soc. Perkin Trans. 1 1979 2253
7. 1,4 Addition of hexafluorobut-2-yne to rhodium(I)–β–ketoneolate rings
D. M. Barlex,A. C. Jarvis,R. D. W. Kemmitt,B. Y. Kimura J. Chem. Soc. Dalton Trans. 1972 2549
8. The valence-bond isomers of hexakis(trifluoromethyl)- and hexakis(pentafluoroethyl)-benzenes
M. G. Barlow,R. N. Haszeldine,R. Hubbard J. Chem. Soc. D 1969 202
9. A platinum-promoted ring-opening reaction of hexakistrifluoromethylbenzene involving carbon–carbon bond cleavage; crystal and molecular structure of bis(t-butyl isocyanide)platinacyclohepta-cis-2,cis-4,cis-6-triene
Jane Browning,Michael Green,Antonio Laguna,Lesley E. Smart,John L. Spencer,F. Gordon A. Stone J. Chem. Soc. Chem. Commun. 1975 723
10. Olefin–acetylene metal complexes: olefin–hexafluorobut-2-yne complexes of rhodium(I)
Martin E. Howden,Raymond D. W. Kemmitt,Michael D. Schilling J. Chem. Soc. Dalton Trans. 1980 1716

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