Cas no 465-61-2 ((1S,3S)-2,2-dichlorocyclopentane-1,3-diol)
465-61-2 structure
Product Name:(1S,3S)-2,2-dichlorocyclopentane-1,3-diol
CAS No:465-61-2
MF:C5H8Cl2O2
MW:171.021820068359
CID:1517435
PubChem ID:6452060
Update Time:2025-04-21
(1S,3S)-2,2-dichlorocyclopentane-1,3-diol Chemical and Physical Properties
Names and Identifiers
-
- (1S,3S)-2,2-dichlorocyclopentane-1,3-diol
- (1S-trans)-2,2-Dichloro-1,3-cyclopentanediol
- 1,3-Cyclopentanediol, 2,2-dichloro-, (1S-trans)-
- 465-61-2
- Q27237104
- 0QES949FRO
- CALDARIOMYCIN
- DTXSID80196859
- UNII-0QES949FRO
- CALDARIOMYCIN [MI]
- 1,3-CYCLOPENTANEDIOL, 2,2-DICHLORO-, (1S,3S)-
- LUTEIG
-
- Inchi： 1S/C5H8Cl2O2/c6-5(7)3(8)1-2-4(5)9/h3-4,8-9H,1-2H2/t3-,4-/m0/s1
- InChI Key： CXQAMTQEGSVLDJ-IMJSIDKUSA-N
- SMILES： ClC1([C@H](CC[C@@H]1O)O)Cl
Computed Properties
- Exact Mass: 169.99024
- Monoisotopic Mass: 169.990135
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 104
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5
- XLogP3: 0.6
Experimental Properties
- Density: 1.51
- Melting Point: 121°
- Boiling Point: 303.4°C at 760 mmHg
- Flash Point: 137.3°C
- Refractive Index: 1.548
- PSA: 40.46
- Specific Rotation: 205461 +59.2° (c = 0.338 in H2O)
(1S,3S)-2,2-dichlorocyclopentane-1,3-diol Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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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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