Cas no 3922-36-9 (1,1,1,7-tetrachloroheptane)
1,1,1,7-tetrachloroheptane structure
Product Name:1,1,1,7-tetrachloroheptane
CAS No:3922-36-9
MF:C7H12Cl4
MW:237.982178688049
CID:1500623
PubChem ID:19821
Update Time:2025-04-21
1,1,1,7-tetrachloroheptane Chemical and Physical Properties
Names and Identifiers
-
- 1,1,1,7-tetrachloroheptane
- heptane, 1,1,1,7-tetrachloro-
- BRN 1742531
- 3922-36-9
- 4-01-00-00391 (Beilstein Handbook Reference)
- SCHEMBL6476782
- DTXSID10192480
- HIZWVJSDYNNBMS-UHFFFAOYSA-N
-
- Inchi: 1S/C7H12Cl4/c8-6-4-2-1-3-5-7(9,10)11/h1-6H2
- InChI Key: HIZWVJSDYNNBMS-UHFFFAOYSA-N
- SMILES: ClC(CCCCCCCl)(Cl)Cl
Computed Properties
- Exact Mass: 235.96956
- Monoisotopic Mass: 235.969311g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 86.9
- 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: 4.6
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
1,1,1,7-tetrachloroheptane Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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2. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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