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1,1,1,2-Tetrabromoethane - ≥95%, high purity , CAS No.25167-20-8
Basic Description
Synonyms
1,1,1,2-TETRABROMOETHANE | TETRABROMOETHANE | 630-16-0 | 25167-20-8 | Ethane, 1,1,1,2-tetrabromo- | DTXSID6026082 | EINECS 211-130-4 | BRN 1733245 | tetrabromethane | EINECS 246-687-2 | UN2504 | SCHEMBL14962 | MLS001065619 | 1,1,1,2-tetrabromo-ethane | DTXCID806082 | CHEMBL1492104 | HMS
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Organobromides
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Organobromides
Alternative Parents
Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1,1,1,2-tetrabromoethane
INCHI
InChI=1S/C2H2Br4/c3-1-2(4,5)6/h1H2
InChIKey
RVHSTXJKKZWWDQ-UHFFFAOYSA-N
Smiles
C(C(Br)(Br)Br)Br
Isomeric SMILES
C(C(Br)(Br)Br)Br
UN Number
2504
Packing Group
III
Molecular Weight
345.65
Reaxy-Rn
1733245
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733245&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
345.650 g/mol
XLogP3
3.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
345.685 Da
Monoisotopic Mass
341.689 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
35.300
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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