CAS 1806-29-7 (1,1'-Biphenyl)-2,2'-diol (HCID 15731)

개요

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

이름 및 식별자

우선 이름: (1,1'-Biphenyl)-2,2'-diol
IUPAC: 2-(2-hydroxyphenyl)phenol
영어명: 2,2'-Biphenol
분자식: C12H10O2
분자량: 186.21

이름 및 동의어

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

이름 더 보기

2 BiphenolOrthodiphenol2,2'-DIPHENOLO,O'-Diphenole

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 161

실험 및 물리화학적 성질

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]

물리화학적 성질

녹는점: 108 · 108-110 °C
끓는 점: 315 °C · 315 °C(lit.)
밀도: 0.83 · 0.83
굴절률: 1.6086 · 1.6086 (estimate)
인화점: 154 °C · 154 °C
저장 조건: 30 °C · Store below +30°C.
물리적 상태: 가루
산도 계수 (pKa): 7.32 · 7.32±0.10(Predicted)
색상: 베이지~회갈색
수용성: 불용성
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
NIST: 1 · [1,1'-Biphenyl]-2,2'-diol(1806-29-7)
EPA: 2 · 2,2'-Biphenol (1806-29-7)

화학적 성질

Beige to greyish-beige powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: DV4200000
독성: oms-hmn:lym 5 mmol/L CNREA8 45,2471,85
HS 번호: 29029090
risk_code: 37/38-41-36-22
hazard_code: Xi,Xn
safety_code: 26-39-36/37/39
F 고인화성물질: 8-9-23
자연 발화 온도: 324 °C
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

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

응용 분야

용도2,2'-Dihydroxybiphenyl, is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

제조 방법 · 1건

생산 방법2,2'-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.