4,4'-Di-tert-butyl-2,2'-bipyridyl (HCID 4249187)

이름 및 식별자

우선 이름: 4,4'-Di-tert-butyl-2,2'-bipyridyl
IUPAC: 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine
영어명: 4,4'-Di-tert-butyl-2,2'-bipyridine
분자식: C18H24N2
분자량: 268.4

이름 및 동의어

72914-19-34,4'-Di-tert-butyl-2,2'-bipyridylRefChem:506593629-463-24,4'-Di-tert-butyl-2,2'-bipyridine4,4'-Di-tert-butyl-2,2'-dipyridyl4-tert-Butyl-2-(4-tert-butyl-2-pyridyl)pyridine4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridineBBBPYMFCD018637312,2'-Bipyridine, 4,4'-bis(1,1-dimethylethyl)-4,4'-Bis(tert-butyl)-2,2'-bipyridine

이름 더 보기

dbbpytBu2bpy4,4'-Di-tert-butyl-2,2'-dipyidyl4,4'-Di-tert-butyl-2,2'-dipyridine

4,4'-di-tertbutyl-2,2'-bipyridine4,4'-Di-tert-butyl-[2,2']bipyridinylSY0122414,4'-BIS(T-BUTYL)-2,2'-BIPYRIDINEdtbbpyYSSJ1560DTBPY4,4'-DI-TERT-BUTYL BIPYRIDINE

데이터베이스 식별자

CAS: 72914-19-3
PubChem CID: 4249187
ChEMBL: CHEMBL100948
UNII: 5FK8THW98Z
EC Number: 629-463-2
Nikkaji: J534.400J

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 278

물리화학적 성질

녹는점: 159 · 159-161 °C(lit.)
끓는 점: 395.4 · 395.4±42.0 °C(Predicted)
밀도: 0.977 · 0.977
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO (약간 용해됨), 에틸아세테이트 (약간 용해됨), 메탄올 (약간 용해됨)
산도 계수 (pKa): 5.15 · 5.15±0.30(Predicted)
물리적 상태: 수정 같은
색상: 하얀색
안정성: 흡습성
InChI: InChI=1S/C18H24N2/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6/h7-12H,1-6H3
InChIKey: TXNLQUKVUJITMX-UHFFFAOYSA-N
SMILES: C1(C2=NC=CC(C(C)(C)C)=C2)=NC=CC(C(C)(C)C)=C1

화학적 성질

white cyrstalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (95.7%): 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 46 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (95.7%)

안전 데이터

wgk: 3
tsca: No
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도4,4'-Di-tert-butyl-2,2'-dipyridyl acts as a reagent in the preparation, antiproliferative and cytotoxic activity of apoptotic ruthenium nitrogen heterocyclic complexes via combinatorial library synthesis.