6-Methoxyquinaldine

HCID 70648CAS 1078-28-0

기본 정보

표준 SMILES: COc1ccc2nc(C)ccc2c1
InChIKey: NAGJQQFMJKMXJQ-UHFFFAOYSA-N
분자식: C11H11NO
평균 분자량: 173.21 g/mol
단동위원소 질량: 173.08406397

이름 및 식별자

우선 이름: 6-Methoxyquinaldine
IUPAC: 6-methoxy-2-methylquinoline
영어명: 6-Methoxyquinaldine
분자식: C11H11NO
분자량: 173.21

이름 및 동의어

6-Methoxy-2-methylquinoline6-Methoxyquinaldine1078-28-02-Methyl-6-methoxyquinolineQuinoline, 6-methoxy-2-methyl-Quinaldine, 6-methoxy-NSC 15557NSC-15557YC360F525AEINECS 214-080-1UNII-YC360F525ADTXSID70148246

이름 더 보기

6-Methoxyquildine, 99%6-Methoxyquinaldine98%6-Methoxyquinaldine,97%6-Methoxy-2-methylquinoline>6-Methoxy-2-methylquinoline, 98.5%

RefChem:104960Quinaldine, 6-methoxy-(8CI)DTXCID5070737Quinoline, 6-methoxy-2-methyl-(9CI)InChI=1/C11H11NO/c1-8-3-4-9-7-10(13-2)5-6-11(9)12-8/h3-7H,1-2HNAGJQQFMJKMXJQ-UHFFFAOYSA-N6-methoxy-2-methyl-quinolineMFCD00006761

데이터베이스 식별자

CAS: 1078-28-0
PubChem CID: 70648
DTXSID: DTXSID70148246
UNII: YC360F525A
EC Number: 214-080-1
Nikkaji: J143.875A

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 22.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 171

물리화학적 성질

녹는점: 62 · 62-64 °C(lit.)
끓는 점: 303.86 °C · 303.86°C (rough estimate)
밀도: 0.973 · 0.973
굴절률: 1.495 · 1.4950 (estimate)
인화점: 47 ° · 47°(117°F)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 푹신한 결정성 분말
산도 계수 (pKa): 5.87 · 5.87±0.43(Predicted)
색상: 베이지에서 그레이까지
InChI: 1S/C11H11NO/c1-8-3-4-9-7-10(13-2)5-6-11(9)12-8/h3-7H,1-2H3
InChIKey: NAGJQQFMJKMXJQ-UHFFFAOYSA-N
SMILES: COc1ccc2nc(C)ccc2c1
NIST: 6 · Quinoline, 6-methoxy-2-methyl-(1078-28-0)

화학적 성질

BEIGE TO GREY FLUFFY CRYSTALLINE POWDER

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29334900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-24/25
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도6-Methoxyquinaldine was used in the preparation and characterization of three RNA-specific fluorescent probes (E36, E144and F22) and their applications in live cell imaging.

일반 설명6-Methoxyquinaldine is starting reagent for the synthesis of 2-(-dialkylaminoethyl)-1,2,3,4-tetrahydroquinolines and their derivatives.