Cas no 27476-22-8 (Benzene, methyl-,tribromo deriv. (9CI))
27476-22-8 structure
Product Name:Benzene, methyl-,tribromo deriv. (9CI)
CAS No:27476-22-8
MF:C21H15Br9
MW:986.479799509048
CID:269457
PubChem ID:33913
Update Time:2025-04-19
Benzene, methyl-,tribromo deriv. (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzene, methyl-,tribromo deriv. (9CI)
- 1,2,3-tribromo-5-methylbenzene,1,2,5-tribromo-3-methylbenzene,1,3,5-tribromo-2-methylbenzene
- TRIBROMOTOLUENE
- DTXSID80181902
- 27476-22-8
-
- Inchi： 1S/3C7H5Br3/c1-4-6(9)2-5(8)3-7(4)10;1-4-2-5(8)3-6(9)7(4)10;1-4-2-5(8)7(10)6(9)3-4/h3*2-3H,1H3
- InChI Key： HHPUADFPUXGYTC-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=C(C=1C)Br)Br.BrC1C(=CC(=CC=1C)Br)Br.BrC1C(=C(C=C(C)C=1)Br)Br
Computed Properties
- Exact Mass: 977.38215
- Monoisotopic Mass: 977.382
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 30
- Rotatable Bond Count: 0
- Complexity: 322
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0A^2
Experimental Properties
- Boiling Point: 297.6°Cat760mmHg
- Flash Point: 131.5°C
- PSA: 0
Benzene, methyl-,tribromo deriv. (9CI) Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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