1489-57-2 (1,3-环己二烯，2-甲基-,1,3-Cyclohexadiene,2-methyl-)

快速询单

结构式：

1,3-环己二烯，2-甲基-MOL文件

CAS号：

1489-57-2

中文名称：

1,3-环己二烯，2-甲基-

英文名称：

1,3-Cyclohexadiene,2-methyl-

分子式：

C₇H₁₀

分子量：

94.1543021202087

1,3-环己二烯，2-甲基-(1489-57-2)名称与标识符

名称

英文别名：

1,3-Cyclohexadiene,2-methyl-;2-methylcyclohexa-1,3-diene;4,5-dihydrotoluene;2-methyl-1,3-cyclohexadiene;

标识符

MDL：

MFCD34597098

InChIKey：

XMWINMVFKPHMJB-UHFFFAOYSA-N

Inchi：

1S/C7H10/c1-7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3

SMILES：

C1(C)=CCCC=C1

1,3-环己二烯，2-甲基-(1489-57-2)物化性质

实验特性

LogP : 2.28270
PSA : 0
折射率 : 1.4662
沸点 : 105.68°C (estimate)
闪点 : 3.1°C
密度 : 0.8260

计算特性

精确分子量 : 94.0783
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 0
同位素质量 : 94.078
重原子数量 : 7
复杂度 : 107
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
拓扑分子极性表面积 : 0A^2

1,3-环己二烯，2-甲基-(1489-57-2)相关文献

1. Organometallic compounds in organic synthesis. Part 14. Tricarbonyliron as lateral control group in the selective alkaline hydrolysis of some cyclohexa-1,3-diene carboxylic esters
B. M. Ratnayake Bandara,Arthur J. Birch,Warwick D. Raverty J. Chem. Soc. Perkin Trans. 1 1982 1763
2. Organometallic compounds in organic synthesis. Part 14. Tricarbonyliron as lateral control group in the selective alkaline hydrolysis of some cyclohexa-1,3-diene carboxylic esters
B. M. Ratnayake Bandara,Arthur J. Birch,Warwick D. Raverty J. Chem. Soc. Perkin Trans. 1 1982 1763
3. Synthesis of substituted dibenzophospholes. Part 5. Synthesis of intermediates for 4-and 6-aryl substituents
Nabeel H. Buttrus,John Cornforth,Peter B. Hitchcock,Ashok Kumar,Alan S. Stuart J. Chem. Soc. Perkin Trans. 1 1987 851
4. Ruthenium complexes as precursors for chemical vapor-deposition (CVD)
Ruchi Gaur,Lallan Mishra,M. Aslam Siddiqi,Burak Atakan RSC Adv. 2014 4 33785
5. Methylated [(arene)(1,3-cyclohexadiene)Ru(0)] complexes as low-melting MOCVD precursor complexes with a controlled follow-up chemistry of the ligands
Ilona Jipa,Katya Danova,Nadejda Popovska,M. Aslam Siddiqi,Rehan A. Siddiqui,Burak Atakan,Till Cremer,Florian Maier,Hubertus Marbach,Hans-Peter Steinrück,Frank W. Heinemann,Ulrich Zenneck J. Mater. Chem. 2011 21 3014
6. Alkylation of tricarbonyliron complexes by trimethylsilyl cyanide: synthetic and kinetic studies
Rikki P. Alexander,Tony D. James,G. Richard Stephenson J. Chem. Soc. Dalton Trans. 1987 2013
7. Reactions of co-ordinated ligands. Part 16. The oxidative–addition of hexafluorobut-2-yne and 3,3,3-trifluoroprop-1-yne to tricarbonyl(1,3- diene)-iron and -ruthenium and tricarbonyl(diphenyl-o-styrylphosphine)-iron complexes: crystal and molecular structure of [Ru(CO)2{P(OCH2)3CMe}(C6H8)(C4F6)2]
Martin Bottrill,Robert Davies,Richard Goddard,Michael Green,Russell P. Hughes,Brian Lewis,Peter Woodward J. Chem. Soc. Dalton Trans. 1977 1252
8. Thermodynamic data from equilibrium studies of the nitric oxide-catalysed isomerization of 1,3,5-heptatriene in the gas phase
Kurt W. Egger,Thomas Ll. James J. Chem. Soc. B 1971 348
9. Addition of hexafluorobut-2-yne to co-ordinated 1,3-dienes; crystal structures of the adducts [Ru(CO)2{P(OCH2)3CMe}(C6H8)(C4F6)2] and [Fe(CO)2{P(OCH2)3CMe}(C7H8)(C4F6)2]
Martin Bottrill,Richard Goddard,Michael Green,Russell P. Hughes,Malcolm K. Lloyd,Brian Lewis,Peter Woodward J. Chem. Soc. Chem. Commun. 1975 253
10. Absolute configuration of some tricarbonyl(cyclohexadiene)iron complexes
Arthur J. Birch,Warwick D. Raverty,G. Richard Stephenson J. Chem. Soc. Chem. Commun. 1980 857