4-Bromo-4'-hydroxybiphenyl
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Basic information
- CAS
29558-77-8- Standard SMILES
Oc1ccc(-c2ccc(Br)cc2)cc1- InChIKey
ARUBXNBYMCVENE-UHFFFAOYSA-N- Molecular formula
- C12H9BrO
- Average molar mass
- 249.1 g/mol
- Monoisotopic mass
- 247.98367701
Names & identifiers
- Preferred name
- 4-Bromo-4'-hydroxybiphenyl
- IUPAC
- 4-(4-bromophenyl)phenol
- English name
- 4-Bromo-4'-hydroxybiphenyl
- Molecular formula
- C12H9BrO
- Molecular weight
- 249.1
Names & synonyms
29558-77-84-Bromo-4'-hydroxybiphenyl4'-Bromo-[1,1'-biphenyl]-4-ol[1,1'-Biphenyl]-4-ol, 4'-bromo-4'-Bromo-(1,1'-biphenyl)-4-ol(1,1'-Biphenyl)-4-ol, 4'-bromo-FW4M61S0BBNSC 130468UNII-FW4M61S0BBNSC-130468DTXSID40183740RefChem:98139
Show more names
NSC 172844-(4-BROMPHENYL)-PHENOL4-hydroxy-4'-bromobenzene4-(4-Bromophenyl)phenol,97%
DTXCID80106231608-376-3ARUBXNBYMCVENE-UHFFFAOYSA-N4-(4-Bromophenyl)phenol4'-Bromobiphenyl-4-ol4-HYDROXY-4'-BROMOBIPHENYL4-(4'-bromophenyl)phenolMFCD00059076
Database identifiers
- CAS
29558-77-8- PubChem CID
- 95093
- DTXSID
DTXSID40183740- UNII
- FW4M61S0BB
- EC Number
- 608-376-3
- Nikkaji
- J22.011F
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 164 · 164-166 °C(lit.)
- Boiling point
- 355.5 · 355.5±17.0 °C(Predicted)
- Density
- 1.4188 · 1.4188 (rough estimate)
- refractive index
- 1.513 · 1.5130 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 9.7 · 9.70±0.15(Predicted)
- color
- White to Almost white
- Water Solubility
- Soluble in water (partly), and methanol.
- InChI
- InChI=1S/C12H9BrO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29081990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280a-P304+P340-P405-P501a-P261-P305+P351+P338
Chemistry & industry
Applications
UsesA biphenyl starting material. 4-Bromo-(1,1-biphenyl)-4-ol is a useful intermediate. Vinylation of 4-bromo-4-hydroxybiphenyl and ethyl acrylate using Pd (OAc) 2/PPh 3 catalyst was studied. Ethyl 4-(4-hydroxyphenyl) cinnamate was formed as the vinylation product, while, 4-hydroxybiphenyl and ethyl cinnamate were formed as side products. Preparation of 4-cyano-4'-hydroxybiphenyl This was prepared from 4-bromo-4'-benzenesulphonyloxybiphenyl by first hydrolysing it to 4-bromo-4-hydroxybiphenyl using sodium hydroxide dissolved in a mixture of water and dioxan. The syntheses of the Nanocomposite dendrimers based on cyclic phosphazene cores: Amorphous materials, were accomplished by following a modified literature procedure by reacting phosphonitrilic chloride trimer with 4-bromophenol or 4-bromo-4-hydroxybiphenyl, respectively, in the presence of K 2 CO 3 in tetrahydrofuran (THF).
Upstream & downstream products
Upstream raw materials
Related reactions
90 records
Compound notes
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