Cas no 41761-11-9 (CID 21856005)
CID 21856005 structure
Product Name:CID 21856005
CAS No:41761-11-9
MF:C6H12Cl2
MW:155.065480232239
CID:2668202
PubChem ID:21856005
Update Time:2025-04-21
CID 21856005 Chemical and Physical Properties
Names and Identifiers
-
- (2R,5S)-2,5-Dichlorohexane
- meso-2,5-dichloro-hexane
- 41761-11-9
- CID 21856005
-
- Inchi: 1S/C6H12Cl2/c1-5(7)3-4-6(2)8/h5-6H,3-4H2,1-2H3/t5-,6+
- InChI Key: RRFNCPBJVPQIPP-OLQVQODUSA-N
- SMILES: Cl[C@H](C)CC[C@H](C)Cl
Computed Properties
- Exact Mass: 154.031606
- Monoisotopic Mass: 154.031606
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 46.5
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0
- XLogP3: 3
Experimental Properties
- Density: 1.0805 (estimate)
- Melting Point: -48.02°C (estimate)
- Boiling Point: 175.06°C (estimate)
- Flash Point: 52.5°C
- Refractive Index: 1.4289 (estimate)
CID 21856005 Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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