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

2,2'-Dihydroxy-1,1'-biphenyl · 2,2'-Dihydroxybiphenyl · 2 Biphenol · Orthodiphenol · 2,2'-DIPHENOL · O,O'-BIPHENOL · O,O'-DIPHENOL · 2,2'-Biphenol

https://huagongshe.com/ko/chemical/15731

식별자 및 물리적 특성

CAS No.	1806-29-7
분자식	C12H10O2
평균 분자량	186.21 g/mol
단동위원소 질량	186.06807956 g/mol
SMILES	Oc1ccccc1-c1ccccc1O
InChIKey	IMHDGJOMLMDPJN-UHFFFAOYSA-N
PubChem CID	15731
ChEMBL	CHEMBL183874
ChEBI	CHEBI:28970
EC No.	217-303-0
DTXSID	DTXSID6051809

화학 및 물리적 성질

XLogP	3
극성 표면적	40.5
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	14
형식 전하	0
복잡도	161
Polymers	Other Classes -> Alcohols and Polyols, Other
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
Endocrine Disruptors	Potential endocrine disrupting compound
증기압	0.00000079 [mmHg]
Physical Description	Off-white crystals[Alfa Aesar MSDS]
녹는점	108-110 °C
끓는 점	315 °C(lit.)
밀도	0.83
굴절률	1.6086 (estimate)
인화점	154 °C
저장 조건	Store below +30°C.
물리적 상태	가루
pKa(산도 계수)	7.32±0.10(Predicted)
색상	베이지~회갈색
용해도	불용성
BRN	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'-Biphenyl]-2,2'-diol(1806-29-7)
EPA	2,2'-Biphenol (1806-29-7)

화학적 성질

Beige to greyish-beige powder

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 3.8% (2 of 52) of reports.DangerH302 (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.
규제 정보	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
유해성 요약	Intraperitoneal LD50 (mouse) = 150 mg/kg[RTECS] A skin, mucous membrane, and severe eye irritantToxic by ingestion[Alfa Aesar MSDS] See Biphenyl. See Phenol.
Hazard Classes and Categories	Acute Tox. 4 (21.2%)
수질 위해 등급(WGK)	2
TSCA 등재 상태	TSCA listed
RTECS 번호	DV4200000
독성	oms-hmn:lym 5 mmol/L CNREA8 45,2471,85
관세 코드	29029090
위험 문구(R)	37/38-41-36-22
위험 표시	Xi,Xn
안전 문구(S)	26-39-36/37/39
F 고인화성물질	8-9-23
자연 발화 온도	324 °C
저장 분류	11 - Combustible Solids

용도

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

제조 및 합성 방법

생산 방법

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.