Cas no 21266-88-6 (heptane, 2,3-dibromo-)
heptane, 2,3-dibromo- structure
Product Name:heptane, 2,3-dibromo-
CAS No:21266-88-6
MF:C7H14Br2
MW:257.994060993195
CID:1399753
PubChem ID:12835653
Update Time:2025-04-20
heptane, 2,3-dibromo- Chemical and Physical Properties
Names and Identifiers
-
- heptane, 2,3-dibromo-
- 2,3-Dibromoheptane
- LogP
- 21266-88-6
- DTXSID50511075
- SCHEMBL7872060
- 2,3-Dibromheptan
-
- Inchi： 1S/C7H14Br2/c1-3-4-5-7(9)6(2)8/h6-7H,3-5H2,1-2H3
- InChI Key： JEFHWRMJALOCDT-UHFFFAOYSA-N
- SMILES： BrC(C(C)Br)CCCC
Computed Properties
- Exact Mass: 255.94622
- 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: 4
- Complexity: 63.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.507
- Boiling Point: 221.814°C at 760 mmHg
- Flash Point: 92.513°C
- Refractive Index: 1.494
- PSA: 0
heptane, 2,3-dibromo- Related Literature
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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