2,6-Bis(2-pyridyl)-4(1H)-pyridone

HCID 619353CAS 128143-88-4

기본 정보

표준 SMILES: O=c1cc(-c2ccccn2)[nH]c(-c2ccccn2)c1
InChIKey: HRORSVNZQWCZTD-UHFFFAOYSA-N
분자식: C15H11N3O
평균 분자량: 249.27 g/mol
단동위원소 질량: 249.09021198

이름 및 식별자

우선 이름: 2,6-Bis(2-pyridyl)-4(1H)-pyridone
IUPAC: 2,6-dipyridin-2-yl-1H-pyridin-4-one
영어명: 2,6-BIS(2-PYRIDYL)-4(1H)-PYRIDONE
분자식: C15H11N3O
분자량: 249.27

이름 및 동의어

128143-88-42,6-Bis(2-pyridyl)-4(1H)-pyridoneRefChem:445204626-145-5101003-65-0[2,2':6',2''-Terpyridin]-4'-ol[2,2':6',2''-Terpyridin]-4'(1'H)-one4'-HYDROXY-2,2':6',2''-TERPYRIDINEMFCD013213862,6-dipyridin-2-yl-1H-pyridin-4-one[2,2,6,2-terpyridin]-4(1H)-one6-(PYRIDIN-2-YL)-[2,2'-BIPYRIDIN]-4-OL

이름 더 보기

DK73161'H-[2,2'6',2'']Terpyridin-4'-one2,6-Bis(pyridin-2-yl)-4-pyridone2,6-Di(2-pyridyl)-4(1H)-pyridone2,6-Bis(2-pyridine)-4(1H)-pyridone2,2':6',2''-Terpyridin]-4'(1'H)-one2,6-Bis(2-pyridyl)-4(1H)-pyridone 97%

YSWG025YSWG797CHEMBL22058041'H-[2,2',6',2'']Terpyridin-4'-oneMFCD067969764/'-HYDROXY-2,2/':6/',2/'/'-TERPYRIDINE6-(pyridin-2-yl)-1,4-dihydro-[2,2'-bipyridin]-4-oneAS-62574

데이터베이스 식별자

CAS: 128143-88-4
PubChem CID: 619353
ChEMBL: CHEMBL2205804
EC Number: 626-145-5
Nikkaji: J847.457E、J847.458C

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 54.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 378

물리화학적 성질

녹는점: 168 · 168-170 °C(lit.)
끓는 점: 505.5 · 505.5±50.0 °C(Predicted)
밀도: 1.269 · 1.269±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): -0.16 · -0.16±0.69(Predicted)
색상: White to Orange to Green
InChI: InChI=1S/C15H11N3O/c19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13/h1-10H,(H,18,19)
InChIKey: HRORSVNZQWCZTD-UHFFFAOYSA-N
SMILES: C1(C2NC(C3=NC=CC=C3)=CC(=O)C=2)=NC=CC=C1

화학적 성질

White to yellow to brown solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2,6-Bis(2-pyridyl)-4(1H)-pyridone can be used a heterocyclic building block to prepare 4′-substituted terpyridines by reacting with ω-substituted primary alcohols or nucleosides via Mitsunobu reaction. It is also used to prepare cyclotriphosphazene ligands with pendant terpyridine moieties.