3-Methylquinoline (HCID 11926)

개요

3-methylquinoline is a methylquinoline. It has a role as a xenobiotic.

이름 및 식별자

우선 이름: 3-Methylquinoline
IUPAC: 3-methylquinoline
영어명: 3-Methylquinoline
분자식: C10H9N
분자량: 143.19

이름 및 동의어

3-METHYLQUINOLINE612-58-8Quinoline, 3-methyl-3-Methyl-1-benzazineDTXSID602101081YC9RBW2G0NSC-109149CHEBI:20140RefChem:504349DTXCID20132599210-315-73-methyl-quinoline

이름 더 보기

3-methyquinoline3-methyl-quinolin3-Methylquinoline>3-Methylquinoline,99%3-Methylquinoline, 98+%7-Chloro-8-methylquinolin-4-ol

MFCD00014661CCRIS 2896NSC 109149beta-MethylquinolineBRN 0110325METHYLQUINOLINE, 3-CHEMBL195661NSC109149

데이터베이스 식별자

CAS: 612-58-8
PubChem CID: 11926
DTXSID: DTXSID60210108
ChEMBL: CHEMBL195661
ChEBI: CHEBI:20140
UNII: 1YC9RBW2G0
EC Number: 210-315-7
Nikkaji: J94.919A

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 133

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Quinolines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Vapor Pressure0.00953 [mmHg]

Physical DescriptionMelting point = 16.5 deg C; [ChemIDplus] Colorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 16 · 16-17 °C (lit.)
끓는 점: 252 · 252-253 °C (lit.)
밀도: 1.069 g/mL · 1.069 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.615(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨)
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): 5.17 · 5.17±0.11(Predicted)
색상: White or Colorless to Light yellow
BRN: 110325 · 110325
InChI: InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3
InChIKey: DTBDAFLSBDGPEA-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)C=C(C)C=1
NIST: 3 · Quinoline, 3-methyl-(612-58-8)

화학적 성질

colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H312 (88.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, 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

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Quinoline.

Hazard Classes and CategoriesAcute Tox. 4 (88.9%)

안전 데이터

wgk: 3
rtecs: VC0527000
HS 번호: 29334900
risk_code: 20/21/22-36/37/38-40-68-22
hazard_code: Xn,Xi
safety_code: 26-27-36/37/39-45
Hazard Classifications: Acute Tox. 4 DermalCarc. 2Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도3-Methylquinoline may be used as carbon, nitrogen and energy supplement to investigate its degradation by Comamonas testosteroni 63. It may be used as ligand in the preparation of tetra-μ-benzoato-bis[(3-methylquinoline)copper(II)], a paddle-wheel-type dinuclear complex.

일반 설명3-Methylquinoline is a quinoline derivative. It is widely employed for the synthesis of dyes, food coloring agents, pharmaceutical reagents, pH indicators and in various industrial processes. It has been synthesized by the methylation of quinoline with methanol in the presence of various zeolites in a fixed-bed reactor.