2-Chloro-4-methylquinoline

HCID 69449CAS 634-47-9

기본 정보

표준 SMILES: Cc1cc(Cl)nc2ccccc12
InChIKey: PFEIMKNQOIFKSW-UHFFFAOYSA-N
분자식: C10H8ClN
평균 분자량: 177.63 g/mol
단동위원소 질량: 177.03452694

이름 및 식별자

우선 이름: 2-Chloro-4-methylquinoline
IUPAC: 2-chloro-4-methylquinoline
영어명: 2-Chlorolepidine
분자식: C10H8ClN
분자량: 177.63

이름 및 동의어

2-Chloro-4-methylquinoline634-47-9Quinoline, 2-chloro-4-methyl-Lepidine, 2-chloro-EINECS 211-209-3NSC 96476DTXSID00212808RefChem:86252Lepidine, 2-chloro-(8CI)DTXCID90135299Quinoline, 2-chloro-4-methyl-(9CI)211-209-3

이름 더 보기

AKOS BB-6898Chlorolepidine3-chlorolepidineAKOS BBS-000002152-Chlorolepidine >OTAVA-BB BB01161100262-chloro-4-methyl-quinolin

InChI=1/C10H8ClN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1HPFEIMKNQOIFKSW-UHFFFAOYSA-N2-Chlorolepidine2-chloro-4-methyl-quinolineMFCD000067422-chloro-4methylquinoline2U5ATH9EJR2-Chloro-4-methylquinolin

데이터베이스 식별자

CAS: 634-47-9
PubChem CID: 69449
DTXSID: DTXSID00212808
UNII: 2U5ATH9EJR
EC Number: 211-209-3
Nikkaji: J95.797F

물성

구조 계산 물성

XLogP: 3.5
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: 160

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 55 · 55-58 °C(lit.)
끓는 점: 296 °C · 296 °C(lit.)
밀도: 1.181 · 1.1810 (rough estimate)
굴절률: 1.6224 · 1.6224 (estimate)
인화점: 296 °C · 296°C
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 0.98 · 0.98±0.50(Predicted)
색상: 흰색에서 거의 흰색
BRN: 118333 · 118333
InChI: InChI=1S/C10H8ClN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey: PFEIMKNQOIFKSW-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)C(C)=CC=1Cl
NIST: 2 · Quinoline, 2-chloro-4-methyl-(634-47-9)

화학적 성질

white to light yellow crystal 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: 26-37/39-36-24/25
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-Chloro-4-methyl-quinoline is a useful synthetic intermediate. It is an intermediate used to synthesize 4-Methyl-2-(1-piperidinyl)-quinoline (M320715) which is a potent inhibitor of TRPC4 channels, responsible for various stimulation, muscle response due to interaction with the environment. 2-Chloro-4-methyl-quinoline is also considered as a cyanine dye.