Cas no 14273-76-8 (5-Pyrimidineaceticacid, 4-chloro-2-methyl-, ethyl ester)
14273-76-8 structure
Product Name:5-Pyrimidineaceticacid, 4-chloro-2-methyl-, ethyl ester
CAS No:14273-76-8
MF:C9H11ClN2O2
MW:214.648841142654
CID:164286
PubChem ID:26604
Update Time:2025-04-19
5-Pyrimidineaceticacid, 4-chloro-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidineaceticacid, 4-chloro-2-methyl-, ethyl ester
- ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate
- 14273-76-8
- (6-CHLORO-2-METHYL-5-PYRIMIDYL)ACETIC ACID, ETHYL ESTER
- 2S581R662D
- Acetic acid, (6-chloro-2-methyl-5-pyrimidyl)-, ethyl ester
- SCHEMBL8880069
- DTXSID10162143
- UXHQKBUDSNPVJV-UHFFFAOYSA-N
- Q27255533
- 5-Pyrimidineacetic acid, 4-chloro-2-methyl-, ethyl ester
- HSDB 2677
- ethyl (6-chloro-2-methyl-5-pyrimidyl)acetate
- ethyl2-(4-chloro-2-methylpyrimidin-5-yl)acetate
- Ethyl alpha-(2-methyl-4-chloro-5-pyrimidinyl)-acetate
- UNII-2S581R662D
-
- MDL： MFCD11976866
- Inchi： 1S/C9H11ClN2O2/c1-3-14-8(13)4-7-5-11-6(2)12-9(7)10/h5H,3-4H2,1-2H3
- InChI Key： UXHQKBUDSNPVJV-UHFFFAOYSA-N
- SMILES： ClC1C(=CN=C(C)N=1)CC(=O)OCC
Computed Properties
- Exact Mass: 214.051
- Monoisotopic Mass: 214.051
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 201
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.1A^2
- XLogP3: 1.7
Experimental Properties
- Density: 1.237
- Melting Point: 35-36 DEG C
- Boiling Point: 289.1°Cat760mmHg
- Flash Point: 128.6°C
- Refractive Index: 1.52
5-Pyrimidineaceticacid, 4-chloro-2-methyl-, ethyl ester Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
14273-76-8 (5-Pyrimidineaceticacid, 4-chloro-2-methyl-, ethyl ester) Related Products
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