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1-BROMO-3,5-DICHLORO-2-IODOBENZENE structure

1-BROMO-3,5-DICHLORO-2-IODOBENZENE
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1. Names and Identifiers
1.1 Name
1-BROMO-3,5-DICHLORO-2-IODOBENZENE
1.2 Synonyms
2-Bromo-4,6-dichloroiodobenzene; Benzene, 1-bromo-3,5-dichloro-2-iodo-; Benzene,1-bromo-3,5-dichloro-2-iodo;
1.3 CAS No.
81067-44-9
1.4 CID
44891178
1.5 EINECS
617-195-9
1.6 Molecular Formula
C6H2BrCl2I
1.7 Inchi
InChI=1S/C6H2BrCl2I/c7-4-1-3(8)2-5(9)6(4)10/h1-2H
1.8 InChkey
AQDCXFZVIZROPK-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=C(C=C(C(=C1Cl)I)Br)Cl
1.10 Isomers Smiles
C1=C(C=C(C(=C1Cl)I)Br)Cl
2. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available
Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

View all
3. NMR Spectrum
13C NMR : Predict  
1H NMR : Predict  
4. Synthesis Route
81067-44-9Total: 1 Synthesis Route
 
697-86-9
697-86-9 42 Suppliers
 
81067-44-9
81067-44-9 4 Suppliers
5. Precursor and Product
precursor:
697-86-9
697-86-9
6. Computed Properties
  • Molecular Weight：351.79g/mol
  • Molecular Formula：C6H2BrCl2I
  • Compound Is Canonicalized：True
  • Exact Mass：4.5
  • XLogP3-AA：349.77617
  • Monoisotopic Mass：349.77617
  • Complexity：122
  • Rotatable Bond Count：0
  • Hydrogen Bond Donor Count：0
  • Hydrogen Bond Acceptor Count：0
  • Topological Polar Surface Area：0
  • Heavy Atom Count：：10
  • Defined Atom Stereocenter Count：0
  • Undefined Atom Stereocenter Count：0
  • Defined Bond Stereocenter Count：0
  • Undefined Bond Stereocenter Count：0
  • Isotope Atom Count：0
  • Covalently-Bonded Unit Count：1
  • CACTVS Substructure Key Fingerprint：AAADcQBgAAAGEgAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAJgAAABqAKCECAwAIAAAACAACBCAAACAAAgBQQAiAAAAqgIICKBExCAIAAggAAIihcAAAAAAAAAAADAAAAAAAAAAYAAAAAAAAAAAA==
7. Toltal 3 Suppliers View more
Benzene, 1-bromo-3,5-dichloro-2-iodo-
Hangzhou Share Chemical Co., Ltd
China
Tel: Update Time:2019/02/23
inquire
1-BROMO-3,5-DICHLORO-2-IODOBENZENE
Esprit Chemical Company
United States
Tel: Update Time:2019/11/25
inquire
1-BROMO-3,5-DICHLORO-2-IODOBENZENE
Wychem Ltd.
United Kingdom
Tel: Update Time:2019/11/25
inquire
8. Realated Product Infomation
 
1. Names and Identifiers
2. Msds
3. NMR Spectrum
4. Synthesis Route
5. Precursor and Product
6. Computational chemical data
7. Toltal 3 Suppliers
8. Realated Product Infomation
 
 
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