Benzo(h)quinoline

HCID 9191CAS 230-27-3

기본 정보

표준 SMILES: c1ccc2c(c1)ccc1cccnc12
InChIKey: WZJYKHNJTSNBHV-UHFFFAOYSA-N
분자식: C13H9N
평균 분자량: 179.22 g/mol
단동위원소 질량: 179.07349929

이름 및 식별자

우선 이름: Benzo(h)quinoline
IUPAC: benzo[h]quinoline
영어명: 7,8-BENZOQUINOLINE
분자식: C13H9N
분자량: 179.22

이름 및 동의어

Benzo[h]quinoline230-27-34-AzaphenanthreneBENZO(H)QUINOLINEalpha-Naphthoquinolinealpha-BenzoquinolineNSC-16033DTXSID1075199RefChem:518341DTXCID3036787205-937-07,8-Benzoquinoline

이름 더 보기

A-NAPHTHOQUINOLINE7,8-BenzoquinoL7,S-Benzochinolinα-naphthaquinoline

1-Naphthoquinoline.alpha.-Benzoquinoline7,8-Benoz(h)quinoline7,8-BenzoquinalineCCRIS 801MFCD00004984.alpha.-Naphthoquinoline8KWJ7WT6Y7

데이터베이스 식별자

CAS: 230-27-3
PubChem CID: 9191
DTXSID: DTXSID1075199
ChEMBL: CHEMBL2227835
UNII: 8KWJ7WT6Y7
EC Number: 205-937-0
Nikkaji: J5.436D

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 201

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Quinolines

SpringerMaterials PropertiesAngular frequency

LogP3.25

Vapor Pressure0.000218 [mmHg]

Physical DescriptionDark yellow crystalline solid; [Sigma-Aldrich MSDS]

Ionization Efficiency · 6건

Positive

4.1

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

물리화학적 성질

녹는점: 48 · 48-50 °C(lit.)
끓는 점: 338 °C719 · 338 °C719 mm Hg(lit.)
밀도: 1.234 · 1.2340
굴절률: 1.727 · 1.7270 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: almost transparency in Methanol
물리적 상태: 결정성 분말
산도 계수 (pKa): 1 · pK1: 4.15(+1) (20°C)
색상: 황백색에서 갈색까지
BRN: 120249 · 120249
InChI: InChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H
InChIKey: WZJYKHNJTSNBHV-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C3C=CC=CC3=2)C=CC=1
NIST: Benzo[h]quinoline(230-27-3)
EPA: Benzo[h]quinoline (230-27-3)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
rtecs: DK1432000
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Benzo[h]quinoline was used to study the mutagenic activities of benzo[f]quinoline, benzo[h]quinolone and a number of their derivatives in strain TA 100 of Salmonella typhimurium. It was used in determination of nitrogen-containing polynuclear aromatic hydrocarbons in the gaseous products of the thermal degradation of polymers by HPLC- fluorescence detection. It was used as starting reagent for the synthesis of osmium and ruthenium complexes containing an N-heterocyclic carbene ligand.

상·하류 제품 정보

상류 원료

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

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

上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

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