Cas no 6973-79-1 (Propanoic acid,3-bromo-, butyl ester)
6973-79-1 structure
Product Name:Propanoic acid,3-bromo-, butyl ester
CAS No:6973-79-1
MF:C7H13BrO2
MW:209.080921888351
CID:511123
PubChem ID:237556
Update Time:2025-04-19
Propanoic acid,3-bromo-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-bromo-, butyl ester
- butyl 3-bromopropanoate
- Propanoic acid, 3-bromo, butyl ester
- SCHEMBL1365566
- NSC-41210
- DTXSID00285259
- QDEAPWRQCUZSEZ-UHFFFAOYSA-N
- 3-bromo-propionic acid butyl ester
- NSC41210
- 6973-79-1
-
- Inchi： 1S/C7H13BrO2/c1-2-3-6-10-7(9)4-5-8/h2-6H2,1H3
- InChI Key： QDEAPWRQCUZSEZ-UHFFFAOYSA-N
- SMILES： BrCCC(=O)OCCCC
Computed Properties
- Exact Mass: 208.00989g/mol
- Monoisotopic Mass: 208.00989g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 93.6
- 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
- XLogP3: 2.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.3051
- Boiling Point: 226.75°C (rough estimate)
- Refractive Index: 1.4600 (estimate)
Propanoic acid,3-bromo-, butyl ester Related Literature
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Ke Chen,Shuai Liu,Liang Mei,Feng Jin,Bo Zhang,Fengxiang Ma,Yewei Chen,Hong Deng,Min Guo,Qingxu Yu Analyst, 2020,145, 1524-1530
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
-
Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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