Cas no 5468-93-9 (Propanoic acid,2-bromo-, 1,1'-(1,2-ethanediyl) ester)
5468-93-9 structure
Product Name:Propanoic acid,2-bromo-, 1,1'-(1,2-ethanediyl) ester
CAS No:5468-93-9
MF:C8H12Br2O4
MW:331.986481666565
CID:378901
PubChem ID:225818
Update Time:2025-04-19
Propanoic acid,2-bromo-, 1,1'-(1,2-ethanediyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-bromo-, 1,1'-(1,2-ethanediyl) ester
- 2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate
- AC1L5EB9
- AC1Q686S
- AG-K-82837
- AR-1I7354
- CTK5A2286
- ethane-1,2-diyl bis(2-bromopropanoate)
- NSC15643
- NSC-15643
- ethylene glycol bis(2-bromopropionate)
- DTXSID301144082
- 200192-34-3
- 5468-93-9
- DTXSID80280121
- SCHEMBL435016
-
- Inchi: 1S/C8H12Br2O4/c1-5(9)7(11)13-3-4-14-8(12)6(2)10/h5-6H,3-4H2,1-2H3
- InChI Key: OBNPDQQJYLNJPU-UHFFFAOYSA-N
- SMILES: BrC(C)C(=O)OCCOC(C(C)Br)=O
Computed Properties
- Exact Mass: 329.91000
- Monoisotopic Mass: 329.91
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.705
- Boiling Point: 326.1°C at 760 mmHg
- Flash Point: 151°C
- Refractive Index: 1.508
- PSA: 52.60000
- LogP: 1.63960
Propanoic acid,2-bromo-, 1,1'-(1,2-ethanediyl) ester Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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