Cas no 78629-19-3 (1-BROMO-6,6-DIMETHYL-2-HEPTEN-4-YNE)
78629-19-3 structure
Product Name:1-BROMO-6,6-DIMETHYL-2-HEPTEN-4-YNE
CAS No:78629-19-3
MF:C9H13Br
MW:201.103522062302
CID:60019
PubChem ID:53471937
Update Time:2025-04-18
1-BROMO-6,6-DIMETHYL-2-HEPTEN-4-YNE Chemical and Physical Properties
Names and Identifiers
-
- 1-BROMO-6,6-DIMETHYL-2-HEPTEN-4-YNE
- (E)-1-Bromo-6,6-dimethyl-2-hepten-4-yne
- 1-BROMO-6,6-DIMETHYL-2-ENE-4-YNE-HEPTANE
- 1-BROMO-6,6-DIMETHYL-2-HEPTENE-4-YNE
- 1-BROMO-6,6-DIMETHYL-HEPT-2-EN-4-YNE
- TIMTEC-BB SBB008839
- (Z)-1-bromo-6,6-dimethylhept-2-en-4-yne
- DTXSID301274784
- starbld0018770
- 2-Hepten-4-yne,1-bromo-6,6-dimethyl-, (2Z)-
- 78629-19-3
- (2Z)-1-Bromo-6,6-dimethyl-2-hepten-4-yne
- SCHEMBL9633566
-
- Inchi： 1S/C9H13Br/c1-9(2,3)7-5-4-6-8-10/h4,6H,8H2,1-3H3/b6-4-
- InChI Key： OOLYZFSILFGXCC-XQRVVYSFSA-N
- SMILES： BrC/C=C\C#CC(C)(C)C
Computed Properties
- Exact Mass: 200.02
- Monoisotopic Mass: 200.02
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 170
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0A^2
- XLogP3: 3.6
Experimental Properties
- Density: 1.202
- Boiling Point: 223℃
- Flash Point: 88℃
- Refractive Index: 1.503
- LogP: 2.98700
1-BROMO-6,6-DIMETHYL-2-HEPTEN-4-YNE 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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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