2,6-Dimethylquinoline (HCID 13414)

名称と識別子

優先名称: 2,6-Dimethylquinoline
IUPAC: 2,6-dimethylquinoline
現地名: 2,6-ジメチルキノリン
英語名: 2,6-DIMETHYLQUINOLINE
分子式: C11H11N
分子量: 157.21

名称と別名

2,6-DIMETHYLQUINOLINE877-43-06-Methylquinaldinep-ToluquinaldineQuinoline, 2,6-dimethyl-2,6-dimethyl quinolineKST0M1T4MBNSC-1782DTXSID0044153RefChem:83341DTXCID8024153212-891-5

名称をさらに表示

2,6-ジメチルキノリンp-トルキナルジン6-メチルキナルジン2,6-ジメチルキノリン, IN ISOOCTANE (1000ΜG/ML)6-Methylquildine, 99%2,6-dimethyl-quinolin2,6-Dimethylquinoline >2,6-Dimethylquinoline,98%2,6-DiMethylquinoline, 98% 10GR2,6-Dimethylquinoline, 10 mM in DMSO

MFCD000067622,6-Dimethyl-quinolineCHEMBL194502UNII-KST0M1T4MBNSC 1782EINECS 212-891-52.6-DimethylquinolineQuinoline,6-dimethyl-

データベース識別子

CAS: 877-43-0
PubChem CID: 13414
DTXSID: DTXSID0044153
ChEMBL: CHEMBL194502
UNII: KST0M1T4MB
EC Number: 212-891-5
Nikkaji: J7.152H

物性

構造計算による物性

XLogP: 3
極性表面積: 12.9 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 155

実験および物理化学的性質

Physical DescriptionLight brown crystalline powder; [Alfa Aesar MSDS]

Kovats Retention Index · 3 件

1397；1414；1397；1414；1399；1434.7

1429；1411.8；1411.1；243.76；243.86；244.19；242.43

2019；2044；2019；2044；2019；2044；2036

物理化学的性質

融点: 57 · 57-59 °C (lit.)
沸点: 266 · 266-267 °C
比重(密度): 1.0491 · 1.0491 (estimate)
屈折率: 1.6103 · 1.6103 (estimate)
闪点: 266 · 266-267°C
貯蔵温度: Inert atmosphere,Room Temperature
外見: 結晶性
酸解離定数(Pka): 1 · pK1:5.46(+1) (25°C)
色: White to Almost white
InChI: 1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3
InChIKey: JJPSZKIOGBRMHK-UHFFFAOYSA-N
SMILES: Cc1ccc2nc(C)ccc2c1
CAS データベース: 877 · 877-43-0(CAS DataBase Reference)
EPAの化学物質情報: 2 · Quinoline, 2,6-dimethyl- (877-43-0)

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Chemical: Quinoline, 2,6-dimethyl-

Quinoline, 2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Quinoline.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

法規制情報

Regulatory Information · 2 件

Chemical: Quinoline, 2,6-dimethyl-

Quinoline, 2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29334900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationQuinoline, 2,6-dimethyl-: ACTIVE

応用分野

使用2,6-Dimethylquinoline was used to study the inhibition potencies (IC50 values) of structurally diverse chemicals with recombinant human CYP2B6 enzyme for in vitro research purposes.