Cas no 7425-45-8 (ethyl 2-chlorobutyrate)
ethyl 2-chlorobutyrate structure
Product Name:ethyl 2-chlorobutyrate
CAS No:7425-45-8
MF:C6H11ClO2
MW:150.603341341019
CID:862390
PubChem ID:123252
Update Time:2025-04-19
ethyl 2-chlorobutyrate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-chlorobutyrate
- ethyl 2-chlorobutanoate
- ETHYL-2-CHLORO-N-BUTANOATE
- 2-Chlor-buttersaeure-aethylester
- 2-chloro-butanoic acid,ethyl ester
- 2-chloro-butyric acid ethyl ester
- Butanoic acid,2-chloro-,ethyl ester
- 2-Chloroethyl butanoate
- DTXSID40995764
- 7425-45-8
- AKOS011508505
- alpha-Chlorobutyric acid ethyl ester
- Butanoic acid, 2-chloro-, ethyl ester
- SCHEMBL5613333
-
- Inchi： 1S/C6H11ClO2/c1-3-5(7)6(8)9-4-2/h5H,3-4H2,1-2H3
- InChI Key： QTEITWPJVHAOTN-UHFFFAOYSA-N
- SMILES： ClC(C(=O)OCC)CC
Computed Properties
- Exact Mass: 150.04500
- Monoisotopic Mass: 150.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 93.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 2
Experimental Properties
- Density: 1.0560
- Boiling Point: 207.14°C (rough estimate)
- Flash Point: 62°C
- Refractive Index: 1.4180 (estimate)
- PSA: 26.30000
- LogP: 1.56690
ethyl 2-chlorobutyrate Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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