Cas no 52698-81-4 (Benzaldehyde, bromo-)
Benzaldehyde, bromo- structure
Product Name:Benzaldehyde, bromo-
CAS No:52698-81-4
MF:C7H5BRO
MW:185.018
CID:359076
Benzaldehyde, bromo- Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde, bromo-
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- Inchi： InChI=1S/C7H5BrO/c8-7-4-2-1-3-6(7)5-9/h1-5H
- InChI Key： NDOPHXWIAZIXPR-UHFFFAOYSA-N
- SMILES： O=CC1=CC=CC=C1Br
Computed Properties
- Exact Mass: 183.95235
- Monoisotopic Mass: 183.952
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 103
- 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: 2.4
- Topological Polar Surface Area: 17.1A^2
Experimental Properties
- Color/Form: After melting point, transparent yellow liquid
- Density: 1.58
- Melting Point: 21-22℃
- Boiling Point: 230℃
- Flash Point: 95℃
- Refractive Index: 1.595-1.597
- PSA: 17.07
- LogP: 2.26160
Benzaldehyde, bromo- Security Information
- Storage Condition：Keep away from sources of ignition. Store in a cool, dry place. Store in tightly closed containers.
Benzaldehyde, bromo- 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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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