p-Dibromobenzene - ≥99% , CAS No.106-37-6

CAS: 106-37-6 Cat. No.: D104693 Formula: C₆H₄Br₂ Molecular Weight: 235.91 Beilstein Registry Number: 1904543 EC Number: 203-390-2

GRADE & PURITY ≥99%

Synonyms

2,5-dibromobenzene | Cbz-S-Phenyl-D-Cys | Benzene, 1,4-dibromo- | 1,4-dibromo benzene | EN300-19642 | DIBROMOBENZENE, 1,4- | Z104474572 | Benzene,4-dibromo- | MFCD00000089 | BP-10917 | FT-0606853 | NCGC00163984-02 | D0297 | P-DIBROMOBENZENE [MI] | HSDB 27

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

2,5-dibromobenzene | Cbz-S-Phenyl-D-Cys | Benzene, 1,4-dibromo- | 1,4-dibromo benzene | EN300-19642 | DIBROMOBENZENE, 1,4- | Z104474572 | Benzene,4-dibromo- | MFCD00000089 | BP-10917 | FT-0606853 | NCGC00163984-02 | D0297 | P-DIBROMOBENZENE [MI] | HSDB 27

Specifications & Purity

≥99%

Storage

Protected from light,Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

504751464

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751464

Canonical Smiles

C1=CC(=CC=C1Br)Br

IUPAC Name

1,4-dibromobenzene

InChIKey

SWJPEBQEEAHIGZ-UHFFFAOYSA-N

INCHI

1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H

Isomeric SMILES

C1=CC(=CC=C1Br)Br

WGK Germany

2

RTECS

CZ1791000

UN Number

2711

Molecular Weight

235.91

Beilstein

1904543

Reaxy-Rn

1904543

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904543&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 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 bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• External Descriptors: dibromobenzene

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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in alcohol, benzene, chloroform, toluene and carbon tetrachloride. Insoluble in ether
• Sensitivity: Light sensitive.
• Flash Point(°F): 212 °F
• Flash Point(°C): ≥100℃
• Boil Point(°C): 219°C
• Melt Point(°C): 89°C
• Molecular Weight: 235.900 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 235.866 Da
• Monoisotopic Mass: 233.868 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 54.900
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 106-37-6, the molecular formula is C6H4Br2, and the molecular weight is 235.91 g/mol. InChIKey SWJPEBQEEAHIGZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.