Cas no 1313734-85-8 (1,3-Dibromoacetone-13C3)
1,3-Dibromoacetone-13C3 structure
Product Name:1,3-Dibromoacetone-13C3
CAS No:1313734-85-8
MF:C3H4Br2O
MW:218.849224090576
CID:2770197
PubChem ID:329765338
Update Time:2025-04-21
1,3-Dibromoacetone-13C3 Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dibromo(~13~C_3_)propan-2-one
- 1313734-85-8
- 1,3-Dibromoacetone-13C3, 99 atom % 13C, 97% (CP)
- DTXCID80696748
- DTXSID70746004
- 1,3-Dibromoacetone-13C3
-
- MDL： MFCD19686981
- Inchi： 1S/C3H4Br2O/c4-1-3(6)2-5/h1-2H2/i1+1,2+1,3+1
- InChI Key： LQQKDSXCDXHLLF-VMIGTVKRSA-N
- SMILES： Br[13CH2][13C]([13CH2]Br)=O
Computed Properties
- Exact Mass: 218.87091Da
- Monoisotopic Mass: 216.87295Da
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 2
- Complexity: 46.8
- 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: 1.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Flash Point: Fahrenheit: 215.6 ° f < br / > Celsius: 102 ° C < br / >
1,3-Dibromoacetone-13C3 Security Information
-
Symbol:
- Signal Word：Danger
- Hazard Statement： H302-H314-H317
- Warning Statement： P280-P305+P351+P338-P310
- Hazardous Material transportation number：UN 1760 8 / PGII
- WGK Germany：3
- Hazard Category Code： 22-34-43
- Safety Instruction： 26-36/37/39-45
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Hazardous Material Identification：
1,3-Dibromoacetone-13C3 Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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