2-Chloro-5-{[2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine

HCID 180957CAS 101336-63-4

기본 정보

표준 SMILES: O=[N+]([O-])C=C1NCCN1Cc1ccc(Cl)nc1
InChIKey: ALNDHUQPXHHNON-UHFFFAOYSA-N
분자식: C10H11ClN4O2
평균 분자량: 254.67 g/mol
단동위원소 질량: 254.05705327

이름 및 식별자

우선 이름: 2-Chloro-5-{[2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine
IUPAC: 2-chloro-5-[[2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine
영어명: 2-chloro-5-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine
분자식: C10H11ClN4O2
분자량: 254.67

이름 및 동의어

101336-63-42-chloro-5-{[2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridineWL 1342636-chloro-PMNI; NTN 32692Pyridine,2-chloro-5-[[2-(nitromethylene)-1-imidazolidinyl]methyl]-SCHEMBL888337ALNDHUQPXHHNON-UHFFFAOYSA-NDTXSID601172919HMS2604E10AKOS0302396321-(2-chloro-5-pyridylmethyl)-2-nitromethyleneimidazolidine1-(6-chloro-3-pyridylmethyl)-2-nitromethyleneimidazolidine

이름 더 보기

2-Chloro-5-[[2-(nitromethylene)-1-imidazolidinyl]methyl]pyridine2-Chloro-5-[[2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine(Z)-N-(1-((6-chloropyridin-3-yl)methyl)imidazolidin-2-ylidene)nitramide2-chloro-5-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine

1-(2-chloro-5-pyridylmethyl)-2-(nitromethylene)-imidazoline2-nitromethylene-3-(2-chloro-5-pyridylmethyl) imidazolidine2-nitromethylene-3-(2-chloro-5-pyridylmethyl)-imidazolidine2-chloro-5-((2-(nitromethylene)-imidazolidin-1-yl)methyl)pyridine2-chloro-5-((2-(nitromethylene)imidazolidin-1-yl)methyl)pyridine2-chloro-5-((2-(nitromethylene)imidazolidin-l-yl)methyl)pyridine2-chloro-5-[(2-(nitromethylene)imidazolidin-1-yl) methyl]pyridine

데이터베이스 식별자

CAS: 101336-63-4
PubChem CID: 180957
DTXSID: DTXSID601172919

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 74 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 318

물리화학적 성질

녹는점: 163 · 163-164 °C
끓는 점: 437.425 · 437.425±45.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.474 · 1.474±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
산도 계수 (pKa): 3.24 · 3.240±0.20(predicted)

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도2-Chloro-5-[[2-(nitromethylene)-1-imidazolidinyl]methyl]pyridine is useful as a reactant in the synthesis of a variety of neocotinoid insecticides.Nitro-methylene analogue of imidacloprid (I274990).