2,4-디클로로-3-니트로-퀴놀린

2,4-Dichloro-3-nitroquinoline

HCID 2785138CAS 132521-66-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=[N+]([O-])c1c(Cl)nc2ccccc2c1Cl
InChIKey: RSFJVCHKGRUCIC-UHFFFAOYSA-N
분자식: C9H4Cl2N2O2
평균 분자량: 243.04 g/mol
단동위원소 질량: 241.96498273

이름 및 식별자

우선 이름: 2,4-Dichloro-3-nitroquinoline
IUPAC: 2,4-dichloro-3-nitroquinoline
현지명: 2,4-디클로로-3-니트로-퀴놀린
영어명: 2,4-Dichloro-3-nitro-quinoline
분자식: C9H4Cl2N2O2
분자량: 243.05

이름 및 동의어

2,4-dichloro-3-nitroquinoline132521-66-5DTXSID90382862RefChem:246209DTXCID60333886819-859-52,4-dichloro-3-nitro-quinolineQuinoline, 2,4-dichloro-3-nitro-MFCD056662852,4-dichloro-3-nitro quinolineSCHEMBL159319AKOS000320153

이름 더 보기

2,4-디클로로-3-니트로-퀴놀린Zinc02551827AURORA KA-41442,4-Dichlor-3-nitro-chinolin3-NITRO-2,4-DICHLORO QUINOLINE2,4-Dichloro-3-nitroquinoline 95%Benzaldehyde,4-methoxy-4-(phenylmethoxy)-2,4-DICHLORO-3-NITRO-QUINOLINE ISO 9001：2015 REACH

AB22422AC-18616AS-43339DU3N6UU5A6orb3022825SCHEMBL29809325TPL0175FD159596

데이터베이스 식별자

CAS: 132521-66-5
PubChem CID: 2785138
DTXSID: DTXSID90382862
UNII: DU3N6UU5A6
EC Number: 819-859-5

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 58.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 259

물리화학적 성질

녹는점: 102 °C · 102 °C(Solv: methanol (67-56-1); ethyl acetate (141-78-6))
끓는 점: 359.7 · 359.7±37.0 °C(Predicted)
밀도: 1.593 · 1.593±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): -4.98 · -4.98±0.50(Predicted)
색상: 흰색에서 황백색까지
InChI: InChI=1S/C9H4Cl2N2O2/c10-7-5-3-1-2-4-6(5)12-9(11)8(7)13(14)15/h1-4H
InChIKey: RSFJVCHKGRUCIC-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)C(Cl)=C([N+]([O-])=O)C=1Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2933499090

화학 및 산업

응용 분야 · 2건

개요2,4-Dichloro-3-nitroquinoline is a chemotherapeutic drug that belongs to the class of epidermal growth factor receptor (EGFR) inhibitors. This agent has anticancer activity against cells in the G1 phase of the cell cycle and may also have some antiproliferative effects on tumor cells. 2,4-Dichloro-3-nitroquinoline binds to EGFR and inhibits the binding of epidermal growth factor (EGF) to its receptor. This binding causes the activation of downstream signaling pathways that regulate cell proliferation.

용도2,4-Dichloro-3-nitroquinoline has antitumor activity.