Cas no 26101-97-3 (Pentabromotoluene)
Pentabromotoluene structure
Product Name:Pentabromotoluene
Pentabromotoluene Chemical and Physical Properties
Names and Identifiers
-
- Pentabromotoluene
- A842383
- 1,2,3,4,5-Pentabromo-6-methylbenzene
- CCRIS 4854
- Q20025015
- Maybridge1_002480
- 87-83-2; 26101-97-3(replacedby87-83-2)
- 87-83-2
- W-104004
- DTXSID3025833
- CDS1_000192
- 2,3,4,5,6-PENTABROMOMETHYLBENZENE
- BS-42216
- EINECS 201-774-4
- HMS548I16
- UNII-87007N97G5
- 2,3,4,5,6-Pentabromotoluene, analytical standard
- Benzene, methyl-, pentabromo deriv.
- Benzene, pentabromomethyl-
- Flammex 5bt
- Pentabromomethylbenzene
- Benzene, 1,2,3,4,5-pentabromo-6-methyl-
- NS00006491
- 87007N97G5
- 87-83-226101-97-3(replacedby87-83-2)
- 2,3,4,5,6-PENTABROMOTOLUENE [HSDB]
- FR-705
- P0827
- HSDB 5253
- 2,3,4,5,6-PENTABROMOTOLUENE
- DivK1c_001232
- SCHEMBL95102
- Toluene, 2,3,4,5,6-pentabromo-
- MFCD00000060
- AKOS015834912
- D92019
- 1,2,3,4,5-Pentabromo-6-methylbenzene #
- 26101-97-3
-
- Inchi： 1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3
- InChI Key： OZHJEQVYCBTHJT-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C(=C(C=1C)Br)Br)Br)Br
Computed Properties
- Exact Mass: 485.61107
- Monoisotopic Mass: 481.615163
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 146
- 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
- Topological Polar Surface Area: 0
- XLogP3: 5.7
Experimental Properties
- Density: 2.607
- Boiling Point: 394.4°Cat760mmHg
- Flash Point: 186.5°C
Pentabromotoluene Related Literature
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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