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30587-23-6 ((Phenol, iodo-)

结构式：

Phenol, iodo-结构式图片|30587-23-6结构式图片

Phenol, iodo-MOL文件

CAS号：

30587-23-6

英文名称：

Phenol, iodo-

分子式：

C₆H₅IO

分子量：

220.007774114609

Phenol, iodo-(30587-23-6)名称与标识符

名称

英文别名：

Phenol, iodo-;Iodophenol;2-Jodphenol;AM87042;CS-W008896;BRN 1855300;4-06-00-01070 (Beilstein Handbook Reference);Z384970702;2-Iodophenol (2IP);Q27102035;I0460;EINECS 208-569-9;PS-7876;o-Jodphenol;DTXSID5052175;WLN: QR BI;EN300-39648;AC-4390;C01874;NSC-9245;2-Jodfenol;BDBM217397;533-58-4;CHEBI:16706;STR06375;2-IODOPHENOL;AKOS009156984;NSC 9245;FT-0632327;o-Jodfenol;MFCD00013963;H11264;F27L34A8B9;2-Iodophenol, 98%;SCHEMBL5720;BP-21314;NS00032730;A829536;O-IODOPHENOL [MI];InChI=1/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8;CHEMBL225564;NSC9245;6X8;Phenol, 2-iodo-;Phenol, o-iodo-;SY005097;J-200045;o-Jodfenol [Czech];2-iodo-phenol;o-Iodophenol;30587-23-6;2-iodanylphenol;2-Jodfenol [Czech];2-iodo phenol;UNII-F27L34A8B9;

标识符

InChIKey：

KQDJTBPASNJQFQ-UHFFFAOYSA-N

Inchi：

1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H

SMILES：

IC1C=CC=CC=1O

Phenol, iodo-(30587-23-6)物化性质

实验特性

PSA : 20.23

计算特性

精确分子量 : 219.93805
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 219.93851g/mol
重原子数量 : 8
复杂度 : 74.9
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） : 2.6
拓扑分子极性表面积 : 20.2Å²

Phenol, iodo-(30587-23-6)相关文献

1. XXI.—The chlorination of iodophenols. Part III. The chlorination of o-iodophenol
Samuel Buchan,Hamilton McCombie J. Chem. Soc. 1931 137
2. An efficient cascade synthesis of various 2H-1,4-benzoxazin-3-(4H)-ones from o-halophenols and 2-halo-amides catalyzed by CuI
Dingben Chen,Guodong Shen,Weiliang Bao Org. Biomol. Chem. 2009 7 4067
3. Palladium-catalysed heteroannulation with acetylenic compounds: synthesis of benzofurans1
Nitya G. Kundu,Manojit Pal,Jyan S. Mahanty,Mahuya De J. Chem. Soc. Perkin Trans. 1 1997 2815
4. Total synthesis of natural products containing benzofuran rings
Majid?M. Heravi,Vahideh Zadsirjan,Hoda Hamidi,Parvin Hajiabbas Tabar Amiri RSC Adv. 2017 7 24470
5. Indium-catalyzed polycyclotrimerization of diynes: a facile route to prepare regioregular hyperbranched polyarylenes
Zhe Wang,Yang Shi,Jian Wang,Lingzhi Li,Haiqiang Wu,Bicheng Yao,Jing Zhi Sun,Anjun Qin,Ben Zhong Tang Polym. Chem. 2014 5 5890
6. Determination of iodinated phenol species at parts-per-trillion concentration levels in different water samples by solid-phase microextraction/offline GC-ICP-MS
Rodolfo G. Wuilloud,Jorgelina C. A. de Wuilloud,Anne P. Vonderheide,Joseph A. Caruso J. Anal. At. Spectrom. 2003 18 1119
7. [PhSiO1.5]8,10,12 as nanoreactors for non-enzymatic introduction of ortho, meta or para-hydroxyl groups to aromatic molecules
Mozhgan Bahrami,Xingwen Zhang,Morteza Ehsani,Yousef Jahani,Richard M. Laine Dalton Trans. 2017 46 8797
8. Are the three hydroxyphenyl radical isomers created equal? – The role of the phenoxy radical –
P. Hemberger,G. da Silva,A. J. Trevitt,T. Gerber,A. Bodi Phys. Chem. Chem. Phys. 2015 17 30076
9. A study of the crystal and molecular structures of phenols with only intermolecular hydrogen bonding
Keith Prout,John Fail,Richard M. Jones,Rachael E. Warner,John C. Emmett J. Chem. Soc. Perkin Trans. 2 1988 265
10. Nature of hydrogen-bond-enhanced halogen bonding viewed through electron density changes
Hajime Torii,Akari Kimura,Takanori Sakai Phys. Chem. Chem. Phys. 2022 24 17951

目录

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