Cas no 42474-21-5 (Heptane, 1,2-dibromo-)
Heptane, 1,2-dibromo- structure
Product Name:Heptane, 1,2-dibromo-
CAS No:42474-21-5
MF:C7H14Br2
MW:257.994060993195
CID:333794
PubChem ID:142607
Update Time:2025-04-19
Heptane, 1,2-dibromo- Chemical and Physical Properties
Names and Identifiers
-
- Heptane, 1,2-dibromo-
- 1,2-DIBROMOHEPTANE
- 1,2-Dibromheptan
- 1,2-dibromo-heptane
- Heptane,1,2-dibromo
- AKOS024390863
- 42474-21-5
- DTXSID60962519
- SCHEMBL201351
-
- Inchi： 1S/C7H14Br2/c1-2-3-4-5-7(9)6-8/h7H,2-6H2,1H3
- InChI Key： CKVJSNYSBIZAAE-UHFFFAOYSA-N
- SMILES： BrC(CBr)CCCCC
Computed Properties
- Exact Mass: 255.94600
- Monoisotopic Mass: 255.94623g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 54.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.5944 (estimate)
- Boiling Point: 224.92°C (estimate)
- Refractive Index: 1.4986
- PSA: 0.00000
- LogP: 3.72510
Heptane, 1,2-dibromo- Related Literature
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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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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