Cas no 52650-97-2 (Phenanthrene, 3,6-bis(bromomethyl)-)
52650-97-2 structure
Product Name:Phenanthrene, 3,6-bis(bromomethyl)-
CAS No:52650-97-2
MF:C16H12Br2
MW:364.074482917786
CID:359171
Update Time:2024-01-28
Phenanthrene, 3,6-bis(bromomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenanthrene, 3,6-bis(bromomethyl)-
- 3,6-bis(bromomethyl)phenanthrene
- 3,6-BIS-BROMOMETHYL-PHENANTHRENE
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- Inchi: 1S/C16H12Br2/c17-9-11-1-3-13-5-6-14-4-2-12(10-18)8-16(14)15(13)7-11/h1-8H,9-10H2
- InChI Key: YKIXTNAKDSOAPT-UHFFFAOYSA-N
- SMILES: C1=C2C(C3C(C=C2)=CC=C(CBr)C=3)=CC(CBr)=C1
Computed Properties
- Exact Mass: 361.93056
- Monoisotopic Mass: 361.931
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 250
- 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
Experimental Properties
- Density: 1.680±0.06 g/cm3(Predicted)
- Melting Point: 142-144 °C
- Boiling Point: 478.5±25.0 °C(Predicted)
- PSA: 0
Phenanthrene, 3,6-bis(bromomethyl)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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