Cas no 153404-57-0 (Benzene, 1-bromo-3-[(4-bromophenyl)ethynyl]-)
![Benzene, 1-bromo-3-[(4-bromophenyl)ethynyl]- structure](https://ossimg.kuujia.com/scimg/153500/153404-57-0x500.png)
153404-57-0 structure
Product Name:Benzene, 1-bromo-3-[(4-bromophenyl)ethynyl]-
CAS No:153404-57-0
MF:C14H8Br2
MW:336.021322250366
CID:1333288
PubChem ID:71435268
Update Time:2025-04-20
Benzene, 1-bromo-3-[(4-bromophenyl)ethynyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-bromo-3-[(4-bromophenyl)ethynyl]-
- 1-BROMO-3-[2-(4-BROMOPHENYL)ETHYNYL]BENZENE
- 1-bromo-4-[2-(3-bromophenyl)ethynyl]benzene
- 1-(3-Bromophenyl)-2-(4-bromophenyl)ethyne
- 153404-57-0
- HS-5789
-
- Inchi： 1S/C14H8Br2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-3,6-10H
- InChI Key： HDSDWYZJQSOIIL-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(C#CC2C=CC(=CC=2)Br)=C1
Computed Properties
- Exact Mass: 333.89924
- Monoisotopic Mass: 333.89928g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 278
- 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: 5.3
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 1-bromo-3-[(4-bromophenyl)ethynyl]- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Danlei Xiang Nanoscale, 2021,13, 5497-5506
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