CAS 518058-50-9 2-Formyl-6-naphthylpyridine (HCID 12070561)

기본 정보

CAS: 518058-50-9
표준 SMILES: O=Cc1cccc(-c2cccc3ccccc23)n1
InChIKey: PPPFLBHBKQTOEN-UHFFFAOYSA-N
분자식: C16H11NO
평균 분자량: 233.26 g/mol
단동위원소 질량: 233.08406397

이름 및 식별자

우선 이름: 2-Formyl-6-naphthylpyridine
IUPAC: 6-naphthalen-1-ylpyridine-2-carbaldehyde
영어명: 6-naphthalen-1-ylpyridine-2-carbaldehyde
분자식: C16H11NO
분자량: 233.26

이름 및 동의어

518058-50-92-formyl-6-naphthylpyridine6-naphthalen-1-ylpyridine-2-carbaldehyde6-(naphthalen-1-yl)picolinaldehyde2-Pyridinecarboxaldehyde, 6-(1-naphthalenyl)-6-(Naphthalen-1-yl)-2-picolinaldehydeSCHEMBL2089813SCHEMBL31047805DTXSID60476964PPPFLBHBKQTOEN-UHFFFAOYSA-N6-(NAPHTHALEN-1-YL)PYRIDINE-2-CARBALDEHYDE6-(1-Naphthalenyl)-2-pyridinecarboxaldehyde

데이터베이스 식별자

CAS: 518058-50-9
PubChem CID: 12070561
DTXSID: DTXSID60476964

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 30 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 291

물리화학적 성질

끓는 점: 396.3 · 396.3±30.0 °C(Predicted)
밀도: 1.204 · 1.204±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.08 · 3.08±0.10(Predicted)

화학 및 산업

응용 분야 · 1건

용도6-(Naphthalen-1-yl)-2-picolinaldehyde is an intermediate in the synthesis of [N-[2,6-Bis(1-methylethyl)phenyl]-α-[2-(1-methylethyl)phenyl]-6-(1-naphthalenyl-κC2)-2-pyridinemethanaminato(2-)-κN1,κN2]dimethylhafnium (B400575), a catalyst used in chain shuttling polymerization reactions and other related reactions involving block copolymers.