2,6-Dichloro-3-nitropyridin-4-amine

HCID 282740CAS 2897-43-0

기본 정보

표준 SMILES: Nc1cc(Cl)nc(Cl)c1[N+](=O)[O-]
InChIKey: KJVKGYRFRFXCQQ-UHFFFAOYSA-N
분자식: C5H3Cl2N3O2
평균 분자량: 208 g/mol
단동위원소 질량: 206.9602317

이름 및 식별자

우선 이름: 2,6-Dichloro-3-nitropyridin-4-amine
IUPAC: 2,6-dichloro-3-nitropyridin-4-amine
영어명: 2,6-Dichloro-3-nitro-4-aminopyridine
분자식: C5H3Cl2N3O2
분자량: 208

이름 및 동의어

2,6-dichloro-3-nitropyridin-4-amineDTXSID60300391RefChem:445383DTXCID10251526867-667-52897-43-04-AMINO-2,6-DICHLORO-3-NITROPYRIDINE2,6-DICHLORO-3-NITRO-4-AMINOPYRIDINE4-Pyridinamine, 2,6-dichloro-3-nitro-2,6-dichloro-3-nitro-pyridin-4-ylamineMFCD032657542,6-Dichloro-3-nitro-pyridin-4-amine

이름 더 보기

(2,6-dichloro-3-nitro-4-pyridyl)amineNSC 136572PYRIDINE DERIVATIVE2897-43-06-DICHLORO-3-NITRO-4-AMINOPYRIDINE5-Amino-2,6-dichloro-3-nitropyridine

2,6-dichloro-3-nitro-4-pyridinamine2,6-Dichloro-4-amino-5-nitropyridine2,6-dichloro-4-amino-3-nitropyridineNSC1365722,6-dichloro-3-nitropyridin-4-ylamineSCHEMBL260778orb1908108SCHEMBL29462393

데이터베이스 식별자

CAS: 2897-43-0
PubChem CID: 282740
DTXSID: DTXSID60300391
EC Number: 867-667-5
Nikkaji: J3.311.549K

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 84.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 186

물리화학적 성질

녹는점: 148 · 148-150°C
끓는 점: 426.6 · 426.6±40.0 °C(Predicted)
밀도: 1.723 · 1.723
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): -3.65 · -3.65±0.50(Predicted)
물리적 상태: 가루
색상: 밝은 노란색에서 밝은 베이지색까지
InChI: InChI=1S/C5H3Cl2N3O2/c6-3-1-2(8)4(10(11)12)5(7)9-3/h1H,(H2,8,9)
InChIKey: KJVKGYRFRFXCQQ-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC(N)=C1[N+]([O-])=O

화학적 성질

Light Yellow to Beige Solid

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, P317, 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 1 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: 2933399990
risk_code: 22-36
hazard_code: Xn
safety_code: 26

화학 및 산업

응용 분야 · 1건

용도2,6-DICHLORO-3-NITRO-4-AMINOPYRIDINE is a synthetic compound that inhibits tyrosine kinases. It is an isomer of 2,6-Dichloropyridine and has been shown to inhibit the growth of lymphoma cells in vitro. 2,6-DICHLORO-3-NITRO-4-AMINOPYRIDINE has three substitutions on the pyridine ring as compared to 2,6-Dichloropyridine. The substitutions are thought to be responsible for the increased hydrophilic properties of this compound. This may lead to increased cellular uptake and better bioavailability.