Cas no 91929-22-5 (2-Butenedioic acid(2E)-, bis(2-bromoethyl) ester (9CI))
91929-22-5 structure
Product Name:2-Butenedioic acid(2E)-, bis(2-bromoethyl) ester (9CI)
CAS No:91929-22-5
MF:C8H10Br2O4
MW:329.970601558685
CID:816525
PubChem ID:246072
Update Time:2025-04-19
2-Butenedioic acid(2E)-, bis(2-bromoethyl) ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid(2E)-, bis(2-bromoethyl) ester (9CI)
- bis(2-bromoethyl) but-2-enedioate
- NSC 58654
- DTXSID50289040
- 91929-22-5
- NCIOpen2_007729
-
- Inchi： 1S/C8H10Br2O4/c9-3-5-13-7(11)1-2-8(12)14-6-4-10/h1-2H,3-6H2
- InChI Key： RHVDRKUDYLMOFM-UHFFFAOYSA-N
- SMILES： BrCCOC(C=CC(=O)OCCBr)=O
Computed Properties
- Exact Mass: 327.89500
- Monoisotopic Mass: 327.894584
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 193
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.6
- XLogP3: 1.7
Experimental Properties
- Density: 1.759±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 66-67 oC
- Boiling Point: 361.2°C at 760 mmHg
- Flash Point: 172.2°C
- Refractive Index: 1.532
- Solubility: Slightly soluble (1.4 g/l) (25 o C),
- PSA: 52.60000
- LogP: 1.41880
2-Butenedioic acid(2E)-, bis(2-bromoethyl) ester (9CI) Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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4. 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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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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