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4,7-Diphenyl-1,10-phenanthroline

HCID 72812
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1662-01-7
표준 SMILES
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIKey
DHDHJYNTEFLIHY-UHFFFAOYSA-N
분자식
C24H16N2
평균 분자량
332.4 g/mol
단동위원소 질량
332.13134851

개요

4,7-diphenyl-1,10-phenanthroline is a member of the class of phenanthrolines that is 1,10-phenanthroline bearing two phenyl substituents at positions 4 and 7. It has a role as a chelator. It is a member of benzenes and a member of phenanthrolines.

이름 및 식별자

우선 이름
4,7-Diphenyl-1,10-phenanthroline
IUPAC
4,7-diphenyl-1,10-phenanthroline
영어명
Bathophenanthroline
분자식
C24H16N2
분자량
332.4

이름 및 동의어

4,7-Diphenyl-1,10-phenanthrolineBathophenanthroline1662-01-71,10-Phenanthroline, 4,7-diphenyl-1,10-BathophenanthrolineBathophenanthrolinDTXSID70618574A2B091F0GNSC-637659CHEBI:77995RefChem:561111DTXCID9035337
이름 더 보기
BathophenBathophenantroline4,7-Diphenyl-1,1-phenanthrolineBphen,99.9%BathophenanthroL
216-767-1BPhenMFCD00004976Bathophenanthrolin [German]EINECS 216-767-14,7-Diphenyl-1,10-diazaphenanthreneNSC 637659NSC637659

데이터베이스 식별자

CAS
1662-01-7、68309-97-7
PubChem CID
72812
DTXSID
DTXSID7061857
ChEMBL
CHEMBL583162
ChEBI
CHEBI:77995
UNII
4A2B091F0G
EC Number
216-767-1、269-684-8
Nikkaji
J7.547G

물성

구조 계산 물성

XLogP
5.7
극성 표면적
25.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
26
형식 전하
0
복잡도
409

실험 및 물리화학적 성질

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
Physical DescriptionOff-white powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
218 · 218-220 °C(lit.)
끓는 점
459.52 °C · 459.52°C (rough estimate)
밀도
1.2047 · 1.2047 (rough estimate)
굴절률
1.762 · 1.7620 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
유기 용매에 용해됩니다. 산성 수용액에 약간 용해됩니다. 중성 또는 알칼리성 용액에는 용해되지 않습니다.
산도 계수 (pKa)
4.83 · 4.83±0.10(Predicted)
물리적 상태
결정질 분말, 결정 또는 결정질 덩어리
색상
흰색에서 노란색으로 분홍빛이 도는
BRN
261048 · 261048
안정성
안정적인. 강한 산화제와 호환되지 않습니다.
InChI
1S/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H
InChIKey
DHDHJYNTEFLIHY-UHFFFAOYSA-N

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H315 (25%): 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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1,10-Phenanthroline, 4,7-diphenyl-

Restricted substance: Tris(4,7-diphenyl-1,10-phenanthroline-N1,N10)nickel(2+) bis[tetrafluoroborate(1-)]

1,10-Phenanthroline, 4,7-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesSkin Irrit. 2 (25%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
SF8427000
HS 번호
29339990
risk_code
20/21/22-36/37/38
hazard_code
Xn
safety_code
22-24/25-36-26
F 고인화성물질
8
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

Chemical agents that uncouple oxidation from phosphorylation in the metabolic cycle so that ATP synthesis does not occur. Included here are those IONOPHORES that disrupt electron transfer by short-circuiting the proton gradient across mitochondrial membranes.

용도 및 제조

General Manufacturing Information · 2건

1,10-Phenanthroline, 4,7-diphenyl-: ACTIVE

Nickel(2+), tris(4,7-diphenyl-1,10-phenanthroline-.kappa.N1,.kappa.N10)-, (OC-6-11)-, tetrafluoroborate(1-) (1:2): INACTIVE

응용 분야 · 3건

개요BPhen is widely used as a hole-blocking or exciton-blocking layer due to its wide energy gap and high ionisation potential.

용도Bathophenanthroline is widely used for determination of iron in serum and urine by colorimtetry. It acts as buffer layer to improve the efficiency of organic photovoltaic cells. It is very useful as a scavenger reagent, for the removal of traces of iron and copper from reagent solutions, which is used in the trace metal determination. Iron bathophenanthroline complex is involved as a redox mediating agent for imaging surface immobilized deoxyribonucleic acid (DNA) by using Scanning Electrochemical Microscopy (SECM).

일반 설명This product has been enhanced for catalysis.

관련 반응

619건
반응 기록 만들기
HRID 69112 반응식
HRID 69112반응물로uspto-grants-2014_09
HRID 255949 반응식
HRID 255949반응물로uspto-grants-1987_10
HRID 481832 반응식
HRID 481832생성물로uspto-grants-1998_08
HRID 1317177 반응식
HRID 1317177촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1317178 반응식
HRID 1317178촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1317179 반응식
HRID 1317179촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1317180 반응식
HRID 1317180촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1317181 반응식
HRID 1317181촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
1 / 78 페이지

화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
SMILES
c1ccc(cc1)-c2ccnc3c2ccc4c(ccnc34)-c5ccccc5
NIST
1 · 1,10-Phenanthroline, 4,7-diphenyl-(1662-01-7)
EPA
1 · 1,10-Phenanthroline, 4,7-diphenyl- (1662-01-7)
Absorption
272 nm · λmax272 nm (in THF)

화학적 성질

white to faintly yellow crystalline powder

상·하류 제품 정보

상류 원료

에틸알코올비소 산 반수화물S탄NOUS 염화2-니트로아닐린벤젠메틸알콜수산화나트륨석유 에테르3-Chloropropiophenone황산

공급사100 곳

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추가 설명

정의ChEBI: A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two phenyl substituents at positions 4 and 7.