2,6-Dichloro-3-nitropyridine

HCID 85239CAS 16013-85-7

기본 정보

표준 SMILES: O=[N+]([O-])c1ccc(Cl)nc1Cl
InChIKey: SHCWQWRTKPNTEM-UHFFFAOYSA-N
분자식: C5H2Cl2N2O2
평균 분자량: 192.98 g/mol
단동위원소 질량: 191.94933266

이름 및 식별자

우선 이름: 2,6-Dichloro-3-nitropyridine
IUPAC: 2,6-dichloro-3-nitropyridine
영어명: 2,6-Dichloro-3-nitropyridine
분자식: C5H2Cl2N2O2
분자량: 192.99

이름 및 동의어

2,6-Dichloro-3-nitropyridine16013-85-7DTXSID10166803EINECS 240-151-1RefChem:445384DTXCID8089294240-151-1Pyridine, 2,6-dichloro-3-nitro-2,6-dichloro-3-nitro-pyridineMFCD000062343-Nitro-2,6-dichloropyridineKH7F529L8W

이름 더 보기

6-Dichloro-3-nitropyridine26DC3NPTIMTEC-BB SBB0036142,6-Dichloro-3-nitroDichloro-3-nitropyrid2,6-Dichloro-3-nitropyrid...

DICHLORONITROPYRIDINE2,6-Dichloro-3-nitropyridine tech.AC-27682,6-Dichloro-3-nitropyridine, technical grade, 92%Flupirtine Impurity HCholest-4-ene, 3-chloro-, (3|A)-2,6-dichloronitropyridineFT-0651285

데이터베이스 식별자

CAS: 16013-85-7
PubChem CID: 85239
DTXSID: DTXSID10166803
UNII: KH7F529L8W
EC Number: 240-151-1
Nikkaji: J219.937H

물성

구조 계산 물성

XLogP: 2.6
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

실험 및 물리화학적 성질

LogP1.96

물리화학적 성질

녹는점: 55 · 55-60 °C(lit.)
끓는 점: 295.5 · 295.5±35.0 °C(Predicted)
밀도: 1.6791 · 1.6791 (rough estimate)
굴절률: 1.61 · 1.6100 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: 액체
산도 계수 (pKa): -5.76 · -5.76±0.10(Predicted)
색상: 무색투명~연황색
BRN: 1619741 · 1619741
InChI: InChI=1S/C5H2Cl2N2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H
InChIKey: SHCWQWRTKPNTEM-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC=C1[N+]([O-])=O

화학적 성질

yellow crystalline powder or chunks

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (95.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (95.8%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 36/37/38-42/43-43
hazard_code: Xn,Xi
safety_code: 22-26-36/37-37/39-24-36/37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

용도2,6-Dichloro-3-nitropyridine was used:in the synthesis of pyridyldifluoroacetatesas starting reagent in the preparation of bicyclooxacalixhetarene

용도2,6-Dichloro-3-nitropyridine is a starting compound for the synthesis of a sulfide analog of Flupirtine with KV7.2/3 channel opening activity. 2,6-Dichloro-3-nitropyridine can be used in pain research.

일반 설명2,6-Dichloro-3-nitropyridine undergoes macrocyclic condensation reaction with resorcinol derivatives to yield chiral tetraoxacalix[2]arene[2]pyridines.