2,6-Dimethylquinoline (HCID 13414)

이름 및 식별자

우선 이름: 2,6-Dimethylquinoline
IUPAC: 2,6-dimethylquinoline
영어명: 2,6-DIMETHYLQUINOLINE
분자식: C11H11N
분자량: 157.21

이름 및 동의어

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

이름 더 보기

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-

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 155

실험 및 물리화학적 성질

Physical DescriptionLight brown crystalline powder; [Alfa Aesar MSDS]

Kovats Retention Index · 3건

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

물리화학적 성질

녹는점: 57 · 57-59 °C (lit.)
끓는 점: 266 · 266-267 °C
밀도: 1.0491 · 1.0491 (estimate)
굴절률: 1.6103 · 1.6103 (estimate)
인화점: 266 · 266-267°C
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 수정 같은
산도 계수 (pKa): 1 · pK1:5.46(+1) (25°C)
색상: 흰색에서 거의 흰색
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
EPA: 2 · Quinoline, 2,6-dimethyl- (877-43-0)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)

규제 정보

Regulatory Information · 2건

Chemical: Quinoline, 2,6-dimethyl-

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

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29334900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

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

응용 분야

용도2,6-Dimethylquinoline was used to study the inhibition potencies (IC50 values) of structurally diverse chemicals with recombinant human CYP2B6 enzyme for in vitro research purposes.