CAS 580-35-8 2,4,6-Triphenylpyridine (HCID 136370)

기본 정보

CAS: 580-35-8
표준 SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIKey: FRZHWQQBYDFNTH-UHFFFAOYSA-N
분자식: C23H17N
평균 분자량: 307.4 g/mol
단동위원소 질량: 307.13609954

이름 및 식별자

우선 이름: 2,4,6-Triphenylpyridine
IUPAC: 2,4,6-triphenylpyridine
현지명: 2,4,6-트리페닐피리딘
영어명: 2,4,6-Triphenylpyridine
분자식: C23H17N
분자량: 307.39

이름 및 동의어

2,4,6-TriphenylpyridineRefChem:442984622-170-0580-35-8Pyridine, 2,4,6-triphenyl-MFCD00014630Pyridine,4,6-triphenyl-STK391423T3394EN300-18207989Z561742242,4,6-Triphenyl-pyridin

이름 더 보기

2,4,6-트리페닐피리딘TIMTEC-BB SBB007852PYRIDINE,2,4,6-TRIPHENYL

2,6-Triphenylpyridine2,4,6-Triphenyl-pyridineNSC22452,4,6,-triphenylpyridine2.4.6-TRICHLORO-1.3.5-TRIPHENYLBORAZINECHEMBL27882SCHEMBL960513SCHEMBL7024221

데이터베이스 식별자

CAS: 580-35-8
PubChem CID: 136370
DTXSID: DTXSID30206730
ChEMBL: CHEMBL27882
EC Number: 622-170-0
Nikkaji: J95.011D

물성

구조 계산 물성

XLogP: 5.8
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 24
형식 전하: 0
복잡도: 334

물리화학적 성질

녹는점: 139 to · 139.0 to 143.0 °C
끓는 점: 220 · 220-230 °C(Press: 0.3 Torr)
밀도: 1.103 · 1.103±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 3.95 · 3.95±0.10(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C23H17N/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h1-17H
InChIKey: FRZHWQQBYDFNTH-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=NC(C2=CC=CC=C2)=CC(C2=CC=CC=C2)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)

안전 데이터

HS 번호: 2933.39.9200

화학 및 산업

응용 분야 · 1건

용도2,4,6-Triphenylpyridine is a pyridine compound that acts as a neutral leaving group in palladium(0)-catalysed nucleophilic allylation reactions. In addition, three novel conjugated polymers based on the 2,4,6-triphenylpyridine moiety can be synthesised via the palladium-catalysed Sonogashira coupling reaction. These three polymers, P-1, P-2 and P-3, all exhibit strong fluorescence emission, characterised by a large Stokes shift and high quantum yield.

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상류 원료

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2,4,6-트리페닐피리딘