2179-80-8 ((Selenocyanic acid,methyl ester (7CI,8CI,9CI))

快速询单

结构式：

Selenocyanic acid,methyl ester (7CI,8CI,9CI)MOL文件

CAS号：

2179-80-8

英文名称：

Selenocyanic acid,methyl ester (7CI,8CI,9CI)

分子式：

C₂H₃NSe

分子量：

120.011919260025

Selenocyanic acid,methyl ester (7CI,8CI,9CI)(2179-80-8)名称与标识符

名称

英文别名：

Selenocyanic acid,methyl ester (7CI,8CI,9CI);Methyl selenocyanate;AC1L3VYL;AG-E-59360;CCRIS 7062;CTK4E7698;Methylselenocyanat;Methyl-seleno-cyanat;Methylselenocyanide;methylselenomethanenitrile;Selenocyansaeure-methylester;SCHEMBL5682365;2179-80-8;AKOS006276633;Methylselenocyanate;DTXSID10176200;

标识符

InChIKey：

XEWPHCLETKKJMQ-UHFFFAOYSA-N

Inchi：

1S/C2H3NSe/c1-4-2-3/h1H3

SMILES：

[Se](C#N)C

Selenocyanic acid,methyl ester (7CI,8CI,9CI)(2179-80-8)物化性质

实验特性

PSA : 23.79
沸点 : 111°Cat760mmHg
闪点 : 20.9°C

计算特性

精确分子量 : 114.94909
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 120.943
重原子数量 : 4
复杂度 : 41.2
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 : 23.8Å²

Selenocyanic acid,methyl ester (7CI,8CI,9CI)(2179-80-8)相关文献

1. 440. Reaction of organomercury compounds with covalent selenocyanates
E. E. Aynsley,N. N. Greenwood,M. J. Sprague J. Chem. Soc. 1965 2395
2. Substitution of labile triflate in [(triphos)Re(CO)2(OTf)]: a new synthetic route to mononuclear and dinuclear ReI complexes
Paola Bergamini,Fabrizia Fabrizi DeBiani,Lorenza Marvelli,Nicoletta Mascellani,Maurizio Peruzzini,Roberto Rossi,Piero Zanello New J. Chem. 1999 23 207
3. Critical Review. Determination of Selenium and Tellurium in Environmental Samples
Alessandro D’Ulivo Analyst 1997 122 117R
4. Rational design and optimization of selenophenes with basic side chains as novel potent selective estrogen receptor modulators (SERMs) for breast cancer therapy
Junjie Luo,Zhiye Hu,Yuan Xiao,Tongxin Yang,Chune Dong,Jian Huang,Hai-Bing Zhou Med. Chem. Commun. 2017 8 1485
5. 114. Studies in biological methylation. Part IX. The action of Scopulariopsis brevicaulis and certain Penicillia on salts of aliphatic seleninic and selenonic acids
Marjorie L. Bird,Frederick Challenger J. Chem. Soc. 1942 574
6. A microwave spectroscopic and quantum chemical study of propa-1,2-dienyl selenocyanate (H2CCHSeCN) and cyclopropyl selenocyanate (C3H5SeCN)
Rajmund Mokso,Harald M?llendal,Jean-Claude Guillemin Phys. Chem. Chem. Phys. 2008 10 4138
7. 865. Solvation of ions. Part III. The SN2 reactivity of some group VI anions, pyridine, and alkyl halides in dipolar aprotic solvents
A. J. Parker J. Chem. Soc. 1961 4398
8. Se-Demethylation from 8-dimethylamino-1-methylselanylnaphthalene and its Se-oxide: an X-ray structure of a stable selenenic anhydride with a 8-dimethylamino-1-naphthyl ligand: peri Se ? N interaction
Hisashi Fujihara,Hitomi Tanaka,Naomichi Furukawa J. Chem. Soc. Perkin Trans. 1 1995 2375
9. 113. Potassium alkaneselenonates and other alkyl derivatives of selenium
Marjorie L. Bird,Frederick Challenger J. Chem. Soc. 1942 570
10. Selenocyanation reactions of organometallic compounds of lead, tin, and thallium
E. E. Aynsley,N. N. Greenwood,G. Hunter,M. J. Sprague J. Chem. Soc. A 1966 1344

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