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Basic Description
| Synonyms | InChI=1/C12H9Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9 | 4-bromo biphenyl | PBB-No. 3 10 microg/mL in Cyclohexane | p-Bromobiphenyl | Q27285606 | p-mono-bromobiphenyl | 1-bromanyl-4-phenyl-benzene | PBB No. 3 | EINECS 202-176-6 | NSC 406933 | 4-Bipheny |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
| Product Description |
In vitro metabolism of 4-bromobiphenyl by cytochrome P-450-dependent monooxygenases in rat hepatic microsomes has been investigated. 4-Bromobiphenyl undergoes reduction to biphenyl in cationic micelles (cetyltrimethyl-ammonium bromide) by electrochemically generated anion radicals of 9-phenylanthracene
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Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Biphenyls and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Brominated biphenyls |
| Alternative Parents | Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Brominated 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 brominated biphenyls. These are organic compounds containing a biphenyl moiety substituted at one or more positions by a bromine atom. |
| External Descriptors | Not available |
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Associated Targets(Human)
AR
Tclin
Androgen Receptor (11781 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
KCNH2
Tclin
HERG (29587 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ALDH1A1
Tchem
Aldehyde dehydrogenase 1A1 (77053 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Lymphoblastoid cell (5959 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
KDM4A
Tchem
Lysine-specific demethylase 4A (52245 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GMNN
Tbio
Geminin (128009 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Mapk1
MAP kinase ERK2 (650 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Plasmodium falciparum (966862 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GCN5
Histone acetyltransferase GCN5 (89 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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 | 488180285 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180285 |
| IUPAC Name | 1-bromo-4-phenylbenzene |
| INCHI | InChI=1S/C12H9Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H |
| InChIKey | PKJBWOWQJHHAHG-UHFFFAOYSA-N |
| Smiles | C1=CC=C(C=C1)C2=CC=C(C=C2)Br |
| Isomeric SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)Br |
| WGK Germany | 3 |
| RTECS | DV1750100 |
| UN Number | 3152 |
| Packing Group | II |
| Molecular Weight | 233.1 |
| Beilstein | 1907453 |
| Reaxy-Rn | 1907453 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907453&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L1920142 |
Certificate of Analysis | Apr 09, 2025 | B110578 |
| B2314087 |
Certificate of Analysis | Nov 12, 2024 | B110578 |
| L2216307 |
Certificate of Analysis | Sep 19, 2024 | B110578 |
| L2216304 |
Certificate of Analysis | Sep 19, 2024 | B110578 |
| L2216119 |
Certificate of Analysis | Sep 19, 2024 | B110578 |
| L2216301 |
Certificate of Analysis | Sep 19, 2024 | B110578 |
| L2216302 |
Certificate of Analysis | Sep 19, 2024 | B110578 |
| E2430137 |
Certificate of Analysis | May 09, 2024 | B110578 |
| E2430130 |
Certificate of Analysis | May 09, 2024 | B110578 |
| E2430136 |
Certificate of Analysis | May 09, 2024 | B110578 |
| B2218381 |
Certificate of Analysis | Nov 15, 2023 | B110578 |
| B2218415 |
Certificate of Analysis | Nov 15, 2023 | B110578 |
| B2218378 |
Certificate of Analysis | Nov 15, 2023 | B110578 |
| B2218430 |
Certificate of Analysis | Nov 15, 2023 | B110578 |
| F1920200 |
Certificate of Analysis | Jan 26, 2023 | B110578 |
| L2216303 |
Certificate of Analysis | Sep 30, 2022 | B110578 |
| L2216305 |
Certificate of Analysis | Sep 30, 2022 | B110578 |
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Chemical and Physical Properties
| Solubility | Solubility in hot Methanol very faint turbidity；Insoluble in water. |
|---|---|
| Flash Point(°F) | >212 °F |
| Flash Point(°C) | 144℃ |
| Boil Point(°C) | 310°C |
| Melt Point(°C) | 91.2°C |
| Molecular Weight | 233.100 g/mol |
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 231.989 Da |
| Monoisotopic Mass | 231.989 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 141.000 |
| 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 |
Solution Calculators
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