4-Bromo-4'-hydroxybiphenyl (HCID 95093)

名称と識別子

優先名称: 4-Bromo-4'-hydroxybiphenyl
IUPAC: 4-(4-bromophenyl)phenol
現地名: 4-ブロモ-4'-ヒドロキシビフェニル
英語名: 4-Bromo-4'-hydroxybiphenyl
分子式: C12H9BrO
分子量: 249.1

名称と別名

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

名称をさらに表示

4-ブロモ-4'-ヒドロキシビフェニル4'-ブロモ-1,1'-ビフェニル-4-オール4'-ブロモ-4-ビフェニルオール4'-ブロモビフェニル-4-オール4-ヒドロキシ-4'-ブロモビフェニル4-(4-ブロモフェニル)フェノール4'-ブロモ-4-ビフェニロール4－ブロモ－4’－ヒドロキシビフェニル4-ブロモ-4'-ヒドロキシビフェニル臭化物4'-ブロモ-(1,1'-ビフェニル)-4-オール4-ヒドロキシ-4′-ブロモビフェニル4′-ブロモ-4-ビフェニロール4′-ブロモ-4-ビフェニルオール4'-ブロモ-[1,1'-ビフェニル]-4-オール4′-ブロモビフェニル-4-オール4′-ブロモ-1,1′-ビフェニル-4-オール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

データベース識別子

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

物性

構造計算による物性

XLogP: 4.7
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 167

実験および物理化学的性質

SpringerMaterials PropertiesChemical structure

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点: 164 · 164-166 °C(lit.)
沸点: 355.5 · 355.5±17.0 °C(Predicted)
比重(密度): 1.4188 · 1.4188 (rough estimate)
屈折率: 1.513 · 1.5130 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 9.7 · 9.70±0.15(Predicted)
色: White to Almost white
水溶解度: 水（一部）、メタノールに可溶。
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 データベース: 29558 · 29558-77-8(CAS DataBase Reference)

化学的性質

化学的特性White or cream powder

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

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

化学と産業

応用分野 · 1 件

使用A 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).