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2,2′-Dibromobiphenyl - 99%, high purity , CAS No.13029-09-9

COA

Grade & Purity:

≥99%

Cas Number: 13029-09-9
Molecular Weight: 312
MDL number: MFCD00093707
PubChem CID: 83060
PubChem SID: 504755645

In stock

Item Number

D398244

Grouped product items
SKU	Size	Availability	Price
D398244-1g	1g	3	$58.90
D398244-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$202.90
D398244-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$686.90
D398244-100g	100g	1	$2,197.90
D398244-500g	500g	1	$6,866.90

Basic Description

Synonyms	AC-28773 \| 2,2/'-Dibromobiphenyl \| AKOS004910067 \| InChI=1/C12H8Br2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8 \| 1-bromo-2-(2-bromophenyl)benzene \| 2,2'-Dibromo-1,1'-biphenyl \| 2,2''''-Dibromo-Biphenyl \| 2,2'-Dibromobiphenyl \| 2,2'-Dibromo-biphenyl \| 2,
Specifications & Purity	≥99%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives
      - Level5 Brominated biphenyls
        Level6 Polybrominated biphenyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Brominated biphenyls
Direct Parent	Polybrominated biphenyls
Alternative Parents	Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Polybrominated biphenyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as polybrominated biphenyls. These are organic aromatic compounds containing a biphenyl moiety, which is substituted at two or more ring positions by a bromine atom.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504755645
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755645
IUPAC Name	1-bromo-2-(2-bromophenyl)benzene
INCHI	InChI=1S/C12H8Br2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
InChIKey	DRKHIWKXLZCAKP-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C2=CC=CC=C2Br)Br
Isomeric SMILES	C1=CC=C(C(=C1)C2=CC=CC=C2Br)Br
WGK Germany	3
UN Number	3077
Packing Group	III
Molecular Weight	312
Reaxy-Rn	2047232
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047232&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
C2215521	Certificate of Analysis	Feb 16, 2022	D398244
C2215440	Certificate of Analysis	Feb 16, 2022	D398244
F2411029	Certificate of Analysis	Feb 16, 2022	D398244
C2215444	Certificate of Analysis	Feb 16, 2022	D398244
C2215442	Certificate of Analysis	Feb 16, 2022	D398244
C2215467	Certificate of Analysis	Feb 16, 2022	D398244

Chemical and Physical Properties

Solubility	Soluble in toluene
Melt Point(°C)	78-82°C
Molecular Weight	312.000 g/mol
XLogP3	5.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	311.897 Da
Monoisotopic Mass	309.899 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	161.000
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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