Cas no 4167-06-0 (Butanedioic acid, 2-bromo-2-(bromomethyl)-)
4167-06-0 structure
Product Name:Butanedioic acid, 2-bromo-2-(bromomethyl)-
CAS No:4167-06-0
MF:C5H6Br2O4
MW:289.906740665436
CID:335200
PubChem ID:238186
Update Time:2025-04-19
Butanedioic acid, 2-bromo-2-(bromomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, 2-bromo-2-(bromomethyl)-
- 2-bromo-2-(bromomethyl)butanedioic acid
- (+-) 2-Brom-2-brommethyl-bernsteinsaeure
- 2-Brom-2-brommethyl-bernsteinsaeure
- 2-bromo-2-(bromomethyl)succinic acid
- 2-bromo-2-bromomethylsuccinic acid
- 2-bromo-2-bromomethyl-succinic acid
- AC1L60EW
- AC1Q5V7S
- AG-K-67248
- AR-1D9389
- CTK1D8914
- NSC42457
- NSC-42457
- 4167-06-0
- DTXSID50285603
- SCHEMBL12462170
-
- Inchi： 1S/C5H6Br2O4/c6-2-5(7,4(10)11)1-3(8)9/h1-2H2,(H,8,9)(H,10,11)
- InChI Key： YXMZDLGGYWYYLB-UHFFFAOYSA-N
- SMILES： BrC(C(=O)O)(CBr)CC(=O)O
Computed Properties
- Exact Mass: 287.86318
- Monoisotopic Mass: 287.863
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 181
- 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
- XLogP3: 0.7
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- Density: 2.287
- Boiling Point: 292.3°Cat760mmHg
- Flash Point: 130.6°C
- Refractive Index: 1.607
- PSA: 74.6
- LogP: 1.07430
Butanedioic acid, 2-bromo-2-(bromomethyl)- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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