O-페난트롤린

o-페난트롤린 · 1,10-페난트롤린 · 1,10-PHENANTHROLINE · phen · 1,10-Phen · 10-Phenanthroline · 1,10-Fenanthrolin · 1,10-o-Phenanthroline

https://huagongshe.com/ko/chemical/1318

식별자 및 물리적 특성

CAS No.	66-71-7
분자식	C12H8N2
평균 분자량	180.2 g/mol
단동위원소 질량	180.06874826 g/mol
SMILES	c1cnc2c(c1)ccc1cccnc12
InChIKey	DGEZNRSVGBDHLK-UHFFFAOYSA-N
PubChem CID	1318
ChEMBL	CHEMBL415879
ChEBI	CHEBI:44975
EC No.	200-629-2
DTXSID	DTXSID1025857
현지명	O-페난트롤린

화학 및 물리적 성질

XLogP	1.8
극성 표면적	25.8
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	14
형식 전하	0
복잡도	182
의약품	Pharmaceuticals -> Listed in ZINC15
Polymers	Other Classes -> Polycyclic Aromatic Hydrocarbons
SpringerMaterials Properties	Angular frequency
LogP(분배 계수)	1.93
용해도	>27 [ug/mL] (The mean of the results at pH 7.4)2.69g/L
끓는 점	> 300 °C>330°C
녹는점	117 °C114-117 °C(lit.)
증기압	0.0000523 [mmHg]
Physical Description	LiquidWhite solid[Merck Index] Hygroscopic solid[Sigma-Aldrich MSDS]
Ionization Efficiency	Positive3.252.7Agilent XCTElectrospray ionizationformic acid (5.3nM)
Dissociation Constants	4.27 (at 20 °C)
Collision Cross Section	132.4 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID1025857]
밀도	1.1836 (rough estimate)
굴절률	1.5200 (estimate)
인화점	>330°C
저장 조건	Store below +30°C.
pKa(산도 계수)	4.84(at 25℃)
물리적 상태	가루
색상	흰색에서 연한 노란색 또는 연한 분홍색까지
용해도	약간 용해됨
Merck	14,7214
BRN	126461
헨리 상수	1.1×105 mol/(m3Pa) at 25℃, Zhang et al. (2010)
안정성	안정적인. 흡습성. 질소하에 보관하십시오. 강산, 강산화제와 호환되지 않습니다.
InChI	1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
InChIKey	DGEZNRSVGBDHLK-UHFFFAOYSA-N
SMILES	c1cnc2c(c1)ccc3cccnc23
NIST	o-Phenanthroline(66-71-7)
EPA	1,10-Phenanthroline (66-71-7)

화학적 성질

Monohydrate is a white crystalline powder. The melting point is 93-94°C, the melting point of anhydrous is 117°C, soluble in 300 parts of water, 70 parts of benzene, soluble in alcohol and acetone.

안전 및 규제

GHS 분류	DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)H301 (99.8%): Toxic if swallowed [Danger Acute toxicity, oral]
규제 정보	Chemical: 1,10-Phenanthroline1,10-Phenanthroline is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,10-Phenanthroline are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)1,10-Phenanthroline: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	Causes kidney changes in intraperitoneal lethal-dose studies of mice (LD50 = 75 mg/kg)[RTECS] May cause irritationToxic by ingestion[Sigma-Aldrich MSDS] See 2,2'-Bipyridine. See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and Categories	Acute Tox. 3 (99.8%)Acute toxicity - category 3Acute Tox. 3 *
Protective Action Criteria (PAC)	0.25 [mg/m3]2.7 [mg/m3]16 [mg/m3]
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	SF8437000
운송 번호(UN)	UN 2811 6.1/PG 3
독성	dni-hmn:leu 5 mg/L ONCOBS 46,193,89
관세 코드	29339990
위험 문구(R)	25-50/53
위험 표시	T,N
안전 문구(S)	45-60-61

용도

개요

o-Phenanthroline is a white crystalline powder and serves as an organic intermediate. It has multiple uses, acting as both a redox indicator and a reagent for the determination of various metals such as ferrous, palladium, vanadium, copper, and iron.

용도

o-Phenanthroline is a commonly used redox indicator and also a bidentate ligand. It has been widely used in transition metal-catalyzed cross-coupling reactions and CH bond activation reactions. It also acts as a chelating agent, forming complexes with most metal ions. In addition, it functions as a ligand employed in the spectrophotometric determination of metals and photocatalytic reduction of carbon dioxide.

제조 및 합성 방법

제조 방법

1,10-Phenanthroline is prepared by heating o-phenylenediamine, glycerin, nitrobenzene and concentrated sulfuric acid.