4-피롤리디노피리딘

4-Pyrrolidinopyridine

HCID 75567CAS 2456-81-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: c1cc(N2CCCC2)ccn1
InChIKey: RGUKYNXWOWSRET-UHFFFAOYSA-N
분자식: C9H12N2
평균 분자량: 148.2 g/mol
단동위원소 질량: 148.10004838

이름 및 식별자

우선 이름: 4-Pyrrolidinopyridine
IUPAC: 4-pyrrolidin-1-ylpyridine
현지명: 4-피롤리디노피리딘
영어명: 4-Pyrrolidinopyridine
분자식: C9H12N2
분자량: 148.21

이름 및 동의어

4-Pyrrolidinopyridine2456-81-7Pyridine, 4-(1-pyrrolidinyl)-4-pyrrolidino-pyridineDH59VKG9S4DTXSID90179299RefChem:526685DTXCID70101790219-534-24-(Pyrrolidin-1-yl)pyridine4-pyrrolidin-1-ylpyridine4-(1-Pyrrolidinyl)pyridine

이름 더 보기

4-피롤리디노피리딘4-PPY4-PyrroL4-(1-PYRROLIDINO)PYRIDINEIOSTEROLidinopyridineTIMTEC-BB SBB004083Pyrrolidinyl pyridine

MFCD000064154-pyrrolidinylpyridineEINECS 219-534-2CHEMBL47548331-(4-Pyridyl)pyrrolidine4-(1-Pyrrolidinyl)pyridin4-pyrrolidin-1-yl-pyridine4-(1-Pyrrolidinyl)-pyridine; 4-(1-Pyrrolidino)pyridine; 4-(1-Pyrrolidinyl)pyridine; 4-(N-Pyrrolidinyl)pyridine

데이터베이스 식별자

CAS: 2456-81-7
PubChem CID: 75567
DTXSID: DTXSID90179299
ChEMBL: CHEMBL4754833
UNII: DH59VKG9S4
EC Number: 219-534-2
Nikkaji: J174K

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 16.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 113

물리화학적 성질

녹는점: 54 · 54-58 °C(lit.)
끓는 점: 171 · 171-173 °C (20.2527 mmHg)
밀도: 1.0628 · 1.0628 (rough estimate)
굴절률: 1.5378 · 1.5378 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 0.1 g/mL, · 메탄올: 0.1 g/mL, 투명
산도 계수 (pKa): 9.58 · 9.58±0.10(Predicted)
물리적 상태: 결정질 질량, 결정 및/또는 덩어리
색상: 흰색에서 노란색, 연한 갈색까지
수소이온지수(pH): 10.5 · 10.5 (3g/l, H2O, 21℃)
수용성: 3 g/L · 3g/L(21℃)
BRN: 472443 · 472443
InChI: 1S/C9H12N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h3-6H,1-2,7-8H2
InChIKey: RGUKYNXWOWSRET-UHFFFAOYSA-N
SMILES: C1CCN(C1)c2ccncc2

화학적 성질

white to light brown crystalline mass

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information4-(1-Pyrrolidinyl) pyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 2923 8/PG 3
HS 번호: 29333999
risk_code: 25-34-41-23/24/25
hazard_code: T
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 8-10-23
Hazard Classifications: Acute Tox. 3 OralSkin Corr. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 2건

개요4-Pyrrolidinopyridine is the pyridine derivative. It can be used as catalyst employed in polymerization reactions or Hypernucleophilic acylation catalyst. For example, it can be used as the catalyst for the geometry-selective (E-selective) acylation of tetrasubstituted α, α'-alkenediols. It can also be used as the ligand in metal complexes such as the Chloride and pseudohalide hydride-carbonyl ruthenium(II) complexes.

용도Catalyst employed in polymerization reactions. Ligand in metal complexes.