(1,1'-Biphenyl)-2,2'-diol (HCID 15731)

概要

Biphenyl-2,2'-diol is a member of the class of hydroxybiphenyls carrying hydroxy groups at positions 2 and 2'.

名称と識別子

優先名称: (1,1'-Biphenyl)-2,2'-diol
IUPAC: 2-(2-hydroxyphenyl)phenol
現地名: 2,2'-ビフェノール
英語名: 2,2'-Biphenol
分子式: C12H10O2
分子量: 186.21

名称と別名

1806-29-72,2'-BIPHENOL[1,1'-Biphenyl]-2,2'-diolBiphenyl-2,2'-diolo,o'-DiphenolO,O'-Biphenolo-Dihydroxydiphenylo,o'-Dihydroxybiphenyl2,2'-Dihydroxydiphenyl(1,1'-Biphenyl)-2,2'-diol2,2'-Dihydroxy-1,1'-biphenylPM2R53I3C9

名称をさらに表示

2,2'-ビフェノール2,2'-ビフェニルジオール2,2'-ビ[フェノール][1,1'-ビフェニル]-2,2'-ジオール2,2'-ジヒドロキシ-1,1'-ビフェニル2,2'-ジヒドロキシビフェニルオルトジフェノール1,1'-ビフェニル-2,2'-ジオール2,2'-ジフェノールo,o'-ビフェノールビフェニル-2,2'-ジオールo,o'-ジフェノール2,2'-ビ(フェノール)2,2’-ジヒドロキシジフェニル2,2′-ビフェノール2,2′‐ビフェノール2,2'-ジヒドロキシビフェニル, 100 µg/mL in MeOH1,1′-ビフェニル-2,2′-ジオール2,2′-ビフェニルジオール[1,1′-ビフェニル]-2,2′-ジオール2 BiphenolOrthodiphenol2,2'-DIPHENOLO,O'-Diphenole

DTXSID6051809CHEBI:28970RefChem:440212DTXCID6030364217-303-02,2'-Dihydroxybiphenyl2,2'-Biphenyldiol2-(2-hydroxyphenyl)phenol

データベース識別子

CAS: 1806-29-7
PubChem CID: 15731
DTXSID: DTXSID6051809
ChEMBL: CHEMBL183874
ChEBI: CHEBI:28970
UNII: PM2R53I3C9
EC Number: 217-303-0
Nikkaji: J7.779H

物性

構造計算による物性

XLogP: 3
極性表面積: 40.5 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 161

実験および物理化学的性質

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Endocrine DisruptorsPotential endocrine disrupting compound

Vapor Pressure0.00000079 [mmHg]

Physical DescriptionOff-white crystals; [Alfa Aesar MSDS]

物理化学的性質

融点: 108 · 108-110 °C
沸点: 315 °C · 315 °C(lit.)
比重(密度): 0.83 · 0.83
屈折率: 1.6086 · 1.6086 (estimate)
闪点: 154 °C · 154 °C
貯蔵温度: 30 °C · Store below +30°C.
外見: 粉
酸解離定数(Pka): 7.32 · 7.32±0.10(Predicted)
色: ベージュ～グレイッシュベージュ
水溶解度: 不溶性
BRN: 1638363 · 1638363
InChI: 1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H
InChIKey: IMHDGJOMLMDPJN-UHFFFAOYSA-N
SMILES: Oc1ccccc1-c2ccccc2O
CAS データベース: 1806 · 1806-29-7(CAS DataBase Reference)
NISTの化学物質情報: 1 · [1,1'-Biphenyl]-2,2'-diol(1806-29-7)
EPAの化学物質情報: 2 · 2,2'-Biphenol (1806-29-7)

化学的性質

化学的特性Beige to greyish-beige powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 3.8% (2 of 52) of reports.

Danger

H302 (21.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 01-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32300

[1,1'-Biphenyl]-2,2'-diol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 150 mg/kg; [RTECS] A skin, mucous membrane, and severe eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Biphenyl. See Phenol.

Hazard Classes and CategoriesAcute Tox. 4 (21.2%)

安全データ

F: 8-9-23
wgk: 2
tsca: TSCA listed
rtecs: DV4200000
毒性: oms-hmn:lym 5 mmol/L CNREA8 45,2471,85
hs_code: 29029090
risk_code: 37/38-41-36-22
hazard_code: Xi,Xn
safety_code: 26-39-36/37/39
自然発火温度: 324 °C
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information[1,1'-Biphenyl]-2,2'-diol: ACTIVE

応用分野

用途パーオキシダーゼの測定基質。

使用2,2'-Dihydroxybiphenyl, is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

調製方法 · 2 件

2,2'-Dihydroxybiphenyl is obtained by alkaline fusion of biphenylene oxide at ca. 300 ℃ (sometimes catalyzed by fluorene or carbazole) or by debutylation of 3,3',5,5'-tetra-tert-butyl-2,2'-dihydroxybiphenyl, which itself is produced by the oxidative coupling of 2,4-di-tert-butylphenol. 2,2'-Dihydroxy-5,5'-dimethylbiphenyl can be synthesized accordingly.

純化方法Crystallise the biphenyl repeatedly from toluene, then sublime it at 60o/10-4mm. [Beilstein 6 IV 6645.]