4-Bromo-4'-hydroxybiphenyl

HCID 95093CAS 29558-77-8

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Grundinformationen

Standard-SMILES: Oc1ccc(-c2ccc(Br)cc2)cc1
InChIKey: ARUBXNBYMCVENE-UHFFFAOYSA-N
Summenformel: C12H9BrO
Durchschnittliche Molmasse: 249,1 g/mol
Monoisotopische Masse: 247,98367701

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-4'-hydroxybiphenyl
IUPAC: 4-(4-bromophenyl)phenol
Englischer Name: 4-Bromo-4'-hydroxybiphenyl
Summenformel: C12H9BrO
Molmasse: 249.1

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

CAS: 29558-77-8
PubChem CID: 95093
DTXSID: DTXSID40183740
UNII: FW4M61S0BB
EC Number: 608-376-3
Nikkaji: J22.011F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,7
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 167

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical structure

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 164 · 164-166 °C(lit.)
Siedepunkt: 355.5 · 355.5±17.0 °C(Predicted)
Dichte: 1.4188 · 1.4188 (rough estimate)
Brechungsindex: 1.513 · 1.5130 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 9.7 · 9.70±0.15(Predicted)
Farbe: White to Almost white
Wasserlöslichkeit: 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
InChIKey: ARUBXNBYMCVENE-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(Br)C=C2)=CC=C(O)C=C1
CAS Datenbank: 29558 · 29558-77-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29081990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenA 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).