CAS 101336-63-4 2-Chloro-5-{[2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine (HCID 180957)

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Basic information

CAS: 101336-63-4
Standard SMILES: O=[N+]([O-])C=C1NCCN1Cc1ccc(Cl)nc1
InChIKey: ALNDHUQPXHHNON-UHFFFAOYSA-N
Molecular formula: C10H11ClN4O2
Average molar mass: 254.67 g/mol
Monoisotopic mass: 254.05705327

Names & identifiers

Preferred name: 2-Chloro-5-{[2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine
IUPAC: 2-chloro-5-[[2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine
English name: 2-chloro-5-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine
Molecular formula: C10H11ClN4O2
Molecular weight: 254.67

Names & synonyms

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

Show more names

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

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 74 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 318

Physicochemical properties

Melting point: 163 · 163-164 °C
Boiling point: 437.425 · 437.425±45.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.474 · 1.474±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 3.24 · 3.240±0.20(predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses2-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).