Picryl chloride (C6H2ClN3O6)

Looking for routes to Picryl chloride? Picryl chloride presents a C6 framework, aromatic rings, a nitro group. Use the planner with prefilled SMILES, or copy O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 (CAS 88-88-0).

Target: Picryl chloride
CAS: 88-88-0
Formula: C6H2ClN3O6
Approx. MW: 247.55
SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1
PubChem CID: 6953
Approx. carbons: C6

Picryl chloride structure

Properties

IUPAC name: 2-chloro-1,3,5-trinitrobenzene
Common names: Picryl chloride; 2-CHLORO-1,3,5-TRINITROBENZENE; 2,4,6-Trinitrochlorobenzene; 1-Chloro-2,4,6-trinitrobenzene; 88-88-0; 2,4,6-Trinitro-1-chlorobenzene; Picrylchloride; Tncb; Benzene, 2-chloro-1,3,5-trinitro-; Z4ZG7O5SZ9
Molecular weight: 247.55
Exact mass: 246.96
InChIKey: HJRJRUMKQCMYDL-UHFFFAOYSA-N
Melting point: 181 to 185 °F (NTP, 1992)
Density: 1.797 at 68 °F (NTP, 1992) - Denser than water; will sink

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Picryl chloride 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Picryl chloride?

Picryl chloride has molecular formula C6H2ClN3O6. Molecular weight about 247.55 g·mol⁻¹.

What is the CAS number of Picryl chloride?

The CAS Registry Number for Picryl chloride is 88-88-0.

Run AI retrosynthesis for Picryl chloride Target catalog AI tools overview

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Related targets

Similar compounds

1-Bromo-2-nitrobenzene 1-Bromo-3-nitrobenzene 1-Bromo-4-nitrobenzene 1-Chloro-3-nitrobenzene 1-Iodo-3-nitrobenzene 1-Iodo-4-nitrobenzene

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References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.