Cas no 61233-70-3 (1,6-Dibromo-3-hexyne)
1,6-Dibromo-3-hexyne structure
Product Name:1,6-Dibromo-3-hexyne
CAS No:61233-70-3
MF:C6H8Br2
MW:239.935720443726
CID:2188931
PubChem ID:556175
Update Time:2025-04-21
1,6-Dibromo-3-hexyne Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Dibromo-3-hexyne
- 1,6-dibromohex-3-yne
- 3-Hexyne, 1,6-dibromo-
- DTXCID50290510
- DB-311568
- 61233-70-3
- 1,6-Dibromo-3-hexyne #
- SCHEMBL9786005
- DTXSID60339429
-
- Inchi: 1S/C6H8Br2/c7-5-3-1-2-4-6-8/h3-6H2
- InChI Key: GVVHGLBWJFRVBC-UHFFFAOYSA-N
- SMILES: BrCCC#CCCBr
Computed Properties
- Exact Mass: 239.89723Da
- Monoisotopic Mass: 237.89928Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 85.6
- 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: 2.7
- Topological Polar Surface Area: 0?2
1,6-Dibromo-3-hexyne Related Literature
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Yi-Bin Ruan,Alexis Depauw,Isabelle Leray Org. Biomol. Chem., 2014,12, 4335-4341
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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