Cas no 88170-33-6 (Dodecane-1-13C,1-bromo- (9CI))
Dodecane-1-13C,1-bromo- (9CI) structure
Product Name:Dodecane-1-13C,1-bromo- (9CI)
CAS No:88170-33-6
MF:C12H25Br
MW:250.223558187485
CID:709254
PubChem ID:12389884
Update Time:2025-04-19
Dodecane-1-13C,1-bromo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Dodecane-1-13C,1-bromo- (9CI)
- 1-Bromododecane-1-13C
- 1-Bromododecane-1-13C, 99 atom % 13C
- 88170-33-6
- 1-Bromododecane-12,12,12-d3, 99 atom % D
- starbld0018771
- 1-bromo(113C)dodecane
- DTXSID70495964
- 1-Bromo(1-~13~C)dodecane
-
- Inchi： 1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3/i12+1
- InChI Key： PBLNBZIONSLZBU-HNHCFKFXSA-N
- SMILES： Br[13CH2]CCCCCCCCCCC
Computed Properties
- Exact Mass: 249.11732g/mol
- Monoisotopic Mass: 249.11732g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 10
- Complexity: 81.2
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 0?2
Experimental Properties
- Color/Form: Not determined
- Density: 1.050?g/mL?at 25?°C
- Melting Point: -11--9?°C(lit.)
- Boiling Point: 134-135?°C6?mm Hg(lit.)
- Flash Point: >230?°F
- Refractive Index: n20/D 1.458(lit.)
- Solubility: Not determined
Dodecane-1-13C,1-bromo- (9CI) Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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