Cas no 14179-94-3 (1-Pentyne,3-chloro-3-methyl-)
1-Pentyne,3-chloro-3-methyl- structure
Product Name:1-Pentyne,3-chloro-3-methyl-
1-Pentyne,3-chloro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentyne,3-chloro-3-methyl-
- 3-chloro-3-methylpent-1-yne
- DTXSID50931198
- 1-Pentyne, 3-chloro-3-methyl-
- 4-01-00-01021 (Beilstein Handbook Reference)
- SCHEMBL6202223
- 14179-94-3
- 3-Chloro-3-methyl-1-pentyne
- BRN 0969353
- 3-chloro-3-methyl-pent-1-yne
- AKOS006240460
-
- Inchi： 1S/C6H9Cl/c1-4-6(3,7)5-2/h1H,5H2,2-3H3
- InChI Key： WTNNDYSRQSOJKB-UHFFFAOYSA-N
- SMILES： ClC(C#C)(C)CC
Computed Properties
- Exact Mass: 116.03937
- Monoisotopic Mass: 116.039
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 98
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.949
- Boiling Point: 102.3°Cat760mmHg
- Flash Point: 18°C
- Refractive Index: 1.442
- PSA: 0
1-Pentyne,3-chloro-3-methyl- Related Literature
-
1. 1047. Allenes. Part IX. Carbenes from 1-halogenoallenesS. R. Landor,P. F. Whiter J. Chem. Soc. 1965 5625
-
2. Homolytic displacement at carbon. Part 3. First example of α-attack on the allenyl- and prop-2-ynyl-cobaloximesB. Dass Gupta,Sujit Roy J. Chem. Soc. Perkin Trans. 2 1988 1377
-
3. Allenes. Part 37. The synthesis of allenic barbiturates and thiobarbituratesStephen R. Landor,Phyllis D. Landor,Paul F. Whiter J. Chem. Soc. Perkin Trans. 1 1977 1710
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