Cas no 63261-16-5 (3-methylpentane-1,5-diyl bis(chloroformate))
63261-16-5 structure
Product Name:3-methylpentane-1,5-diyl bis(chloroformate)
CAS No:63261-16-5
MF:C8H12Cl2O4
MW:243.084481239319
CID:959569
PubChem ID:6454566
Update Time:2025-04-19
3-methylpentane-1,5-diyl bis(chloroformate) Chemical and Physical Properties
Names and Identifiers
-
- 3-methylpentane-1,5-diyl bis(chloroformate)
- (5-carbonochloridoyloxy-3-methylpentyl) carbonochloridate
- 3-methylpentane-1,5-diyl dichlorocarbonate
- EINECS 264-055-4
- CARBONOCHLORIDIC ACID, 3-METHYL-1,5-PENTANEDIYL ESTER
- 63261-16-5
- DTXSID30212654
- SCHEMBL5836653
- Q75RU4N5EX
- UNII-Q75RU4N5EX
- DB-304825
- SMXZFLGIIZGAHU-UHFFFAOYSA-N
- NS00035403
-
- Inchi： 1S/C8H12Cl2O4/c1-6(2-4-13-7(9)11)3-5-14-8(10)12/h6H,2-5H2,1H3
- InChI Key： SMXZFLGIIZGAHU-UHFFFAOYSA-N
- SMILES： ClC(=O)OCCC(C)CCOC(=O)Cl
Computed Properties
- Exact Mass: 242.01136
- Monoisotopic Mass: 242.0112642g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 176
- 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: 3.6
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
3-methylpentane-1,5-diyl bis(chloroformate) Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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