Pyrindan (HCID 68292)

개요

structure in first source

이름 및 식별자

우선 이름: Pyrindan
IUPAC: 6,7-dihydro-5H-cyclopenta[b]pyridine
영어명: Cyclopenta[b]pyridine
분자식: C8H9N
분자량: 119.16

이름 및 동의어

2,3-Cyclopentenopyridine533-37-96,7-Dihydro-5H-cyclopenta[b]pyridinePyrindan5H-1-Pyrindine, 6,7-dihydro-6,7-Dihydro-5H-cyclopenta(b)pyridine5H-cyclopenta[b]pyridine, 6,7-dihydro-6,7-dihydro-5H-[1]pyrindineEINECS 208-564-118Z19A103WDTXSID702014466,7-DIHYDRO-5H-PYRINDINE

이름 더 보기

1-pyrindan7-AzaindaneCyclopentenopyridineyclopenta[b]pyridine2,3-CYCLOPENTAPYRIDINE3-Cyclopentenopyridine2,3-CYDOPENTENO PYRIDINE1H-cyclopenta[b]pyridine

6,7-DIHYDRO-5H-(1)PYRINDINE5H-CYCLOPENTA(B)PYRIDINE, 6,7-DIHYDRO-RefChem:870965DTXCID701239376,7Dihydro5Hcyclopenta(b)pyridine208-564-1InChI=1/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5HCyclopenta[b]pyridine

데이터베이스 식별자

CAS: 533-37-9
PubChem CID: 68292
DTXSID: DTXSID70201446
UNII: 18Z19A103W
EC Number: 208-564-1
Nikkaji: J147.225I

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 101

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physical DescriptionDark brown liquid; [Aldrich MSDS]

물리화학적 성질

녹는점: 117 °C · 117 °C
끓는 점: 87 · 87-88 °C/11 mmHg (lit.)
밀도: 1.018 g/mL · 1.018 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.544(lit.)
인화점: 153 °F · 153 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 투명한 액체
산도 계수 (pKa): 6.19 · 6.19±0.20(Predicted)
색상: Colorless to Red to Green
InChI: 1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H2
InChIKey: KRNSYSYRLQDHDK-UHFFFAOYSA-N
SMILES: C1Cc2cccnc2C1
NIST: 5 H-1-Pyrindine, · 5H-1-Pyrindine, 6,7-dihydro-(533-37-9)

화학적 성질

CLEAR COLORLESS TO BROWNISH LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: 5H-1-Pyrindine, 6,7-dihydro-

Hazards SummaryA skin and strong eye irritant; [Aldrich MSDS] See Pyridine.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

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: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2,3-Cyclopentenopyridine is used as reactant/reagent for ruthenium-mediated dual catalytic reactions of isoquinoline via C-H activation and dearomatization for isoquinolone.

일반 설명The structural properties of 2,3-cyclopentenopyridine using spectroscopic and computational techniques have been studied. 2,3-Cyclopentenopyridine is present in the side chain of cefpirome (HR 810), a new cephalosporin.

상·하류 제품 정보

상류 원료

하류 제품

5H-사이클로펜타[B]피리딘 6,7-DIHYDRO-5H-사이클로펜타[B]피리딘-5-OL

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

济南诚汇双达生物有限公司053158897070 15550412551

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

연결된 노트

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Pyrindan

기본 정보

개요