CAS 5975-12-2 2,4-Dichloro-3-nitropyridine (HCID 10535773)

이름 및 식별자

우선 이름: 2,4-Dichloro-3-nitropyridine
IUPAC: 2,4-dichloro-3-nitropyridine
영어명: 2,4-Dichloro-3-nitropyridine
분자식: C5H2Cl2N2O2
분자량: 192.99

이름 및 동의어

2,4-Dichloro-3-nitropyridine5975-12-2DTXSID50441383RefChem:246208DTXCID50392205688-499-72,4-dichloro-3-nitro-pyridineMFCD09261088PYRIDINE, 2,4-DICHLORO-3-NITRO-2.4-dichloro-3-nitropyridinePB25128AC-22842

이름 더 보기

0/2/754-dichloro-3-nitro-4-Dichloro-3-nitropyridine2,4-dichloronitro pyridine2,4-Dichloro-3-nitropyridine-22,4-Dichloro-3-nitropyridine 98%2,4-Dichloro-3-nitropyridine ISO 9001：2015 REACH

SY014839FT-0649164SCHEMBL2029272,4-Dichloro-3-nitropyridine;SCHEMBL29467174CS-B01032,4-Dichloro-3-nitropyridine, AldBBL100953

데이터베이스 식별자

CAS: 5975-12-2
PubChem CID: 10535773
DTXSID: DTXSID50441383
EC Number: 688-499-7
Nikkaji: J2.915.162H

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 58.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 161

물리화학적 성질

녹는점: 61.5 · 61.5-62 °C
끓는 점: 285.7 · 285.7±35.0 °C(Predicted)
밀도: 1.629 · 1.629±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: powder to crystal
산도 계수 (pKa): -2.49 · -2.49±0.10(Predicted)
색상: White to Orange to Green
InChI: InChI=1S/C5H2Cl2N2O2/c6-3-1-2-8-5(7)4(3)9(10)11/h1-2H
InChIKey: RTXYIHGMYDJHEU-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC(Cl)=C1[N+]([O-])=O

화학적 성질

Light yellow needles

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 4.3% (2 of 46) of reports.

Warning

H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 46 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 46 reports by companies.；There are 7 notifications provided by 44 of 46 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 07-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32695

Hazard Classes and CategoriesSkin Irrit. 2 (95.7%)；Eye Irrit. 2A (95.7%)；STOT SE 3 (93.5%)

규제 정보

Regulatory InformationStatus: Active Update: 07-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32695

안전 데이터

HS 번호: 2933399990
risk_code: 36/37/38
hazard_code: Xi
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 2건

개요2,4-Dichloro-3-nitropyridine is a halogenated pyridinium salt that has been shown to inhibit the influenza virus in vitro. This compound is also reactive with nucleophilic groups such as amines, alcohols, and thiols. 2,4-Dichloro-3-nitropyridine has been used for the synthesis of quinoline derivatives that have potential applications in autoimmune diseases or cancer. 2,4-Dichloro-3-nitropyridine has also been found to be an inhibitor of tumor necrosis factor alpha (TNFα) production by LPS stimulated human monocytes.

용도2,4-Dichloro-3-nitropyridine is a reactant in the discovery of Imigliptin, a novel selective dipeptidyl peptidase IV (DPP-4) inhibitor used in the treatment of type 2 diabetes.