Cas no 5393-64-6 (Dibutyl Benzene-1,2-dicarboperoxoate)
5393-64-6 structure
Product Name:Dibutyl Benzene-1,2-dicarboperoxoate
CAS No:5393-64-6
MF:C16H22O6
MW:310.342285633087
CID:1586095
PubChem ID:221048
Update Time:2025-04-21
Dibutyl Benzene-1,2-dicarboperoxoate Chemical and Physical Properties
Names and Identifiers
-
- Dibutyl Benzene-1,2-dicarboperoxoate
- NSC4761
- AC1Q68PX
- AC1L59P9
- CTK4J9016
- NSC-4761
- AR-1I4035
- AG-F-85959
- NSC4761; AC1Q68PX; AC1L59P9; CTK4J9016; NSC-4761; AR-1I4035; AG-F-85959;
- DTXSID10277903
- 5393-64-6
- SCHEMBL5072717
- NSC 4761
-
- Inchi： 1S/C16H22O6/c1-3-5-11-19-21-15(17)13-9-7-8-10-14(13)16(18)22-20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
- InChI Key： KCZPIRURBZQONL-UHFFFAOYSA-N
- SMILES： O(CCCC)OC(C1C=CC=CC=1C(=O)OOCCCC)=O
Computed Properties
- Exact Mass: 310.14166
- Monoisotopic Mass: 310.141638
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 12
- Complexity: 299
- 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: 4.2
- Topological Polar Surface Area: 71.1
Experimental Properties
- Density: 1.12
- Boiling Point: 464.7°C at 760 mmHg
- Flash Point: 205°C
- Refractive Index: 1.497
- PSA: 71.06
- LogP: 3.46360
Dibutyl Benzene-1,2-dicarboperoxoate Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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