4-Chloro-6,7-dimethoxyquinoline

HCID 459610CAS 35654-56-9

기본 정보

표준 SMILES: COc1cc2nccc(Cl)c2cc1OC
InChIKey: WRVHQEYBCDPZEU-UHFFFAOYSA-N
분자식: C11H10ClNO2
평균 분자량: 223.65 g/mol
단동위원소 질량: 223.04000624

이름 및 식별자

우선 이름: 4-Chloro-6,7-dimethoxyquinoline
IUPAC: 4-chloro-6,7-dimethoxyquinoline
영어명: 4-chloro-6,7-dimethoxyquinoline
분자식: C11H10ClNO2
분자량: 223.66

이름 및 동의어

4-Chloro-6,7-dimethoxyquinoline35654-56-9DTXSID30332684RefChem:98475DTXCID20283777676-028-84-Chloro-6,7-dimethoxy-quinolineMFCD077784376,7-Dimethoxy-4-chloroquinoline4-chloro-6,7-dimethoxy quinolineQUINOLINE, 4-CHLORO-6,7-DIMETHOXY-CS-D1175

이름 더 보기

4-Chloro-6,7-dimethoxyquioline4-CHLORO-67-DIMETHOXYQUINOLINEoro-6,7-dimethoxyquinoLCabozantinib Impurity 71Cabozantinib Chloro Analog4-Chloro-6,7-dimethoxy-quinolin

AKOS005188230PB30954C2938BCP26870A6221JPZ3QT9MF3SCHEMBL359988orb3143830

데이터베이스 식별자

CAS: 35654-56-9
PubChem CID: 459610
DTXSID: DTXSID30332684
UNII: JPZ3QT9MF3
EC Number: 109-055-6、676-028-8
Nikkaji: J3.764.890F

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 31.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 215

물리화학적 성질

녹는점: 132 to · 132.0 to 136.0 °C
끓는 점: 325.2 · 325.2±37.0 °C(Predicted)
밀도: 1.265 · 1.265±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.95 · 3.95±0.30(Predicted)
색상: 옅은 갈색에서 밝은 갈색까지
InChI: InChI=1S/C11H10ClNO2/c1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2/h3-6H,1-2H3
InChIKey: WRVHQEYBCDPZEU-UHFFFAOYSA-N
SMILES: N1C2C(=CC(OC)=C(OC)C=2)C(Cl)=CC=1

화학적 성질

Light brown powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (98%): 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 51 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

유해성 정보

Hazard Classes and Categories · 2건

Skin Irrit. 2 (98%)

Acute Tox. 3 (100%)

안전 데이터

wgk: WGK 3
ridadr: UN2811
HS 번호: 29334900
risk_code: 25
hazard_code: T
safety_code: 45-24/25
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 1건

용도4-Chloro-6,7-dimethoxyquinoline, can be used as an intermediate for the synthesis of various pharmaceutical and biologically active compounds. It is used for the preparation of Tivozanib (T447205), and Cabozantinib (C051500), acting as anticancer agents.