4-Chlorobenzotrichloride (C7H4Cl4)

Looking for routes to 4-Chlorobenzotrichloride? 4-Chlorobenzotrichloride presents a C7 framework, aromatic rings, halogen substitution. Use the planner with prefilled SMILES, or copy Clc1ccc(C(Cl)(Cl)Cl)cc1 (CAS 5216-25-1).

Target: 4-Chlorobenzotrichloride
CAS: 5216-25-1
Formula: C7H4Cl4
Approx. MW: 229.91
SMILES: Clc1ccc(C(Cl)(Cl)Cl)cc1
PubChem CID: 21277
Approx. carbons: C7

4-Chlorobenzotrichloride structure

Properties

Molecular weight: 229.91

View on PubChem

4-Chlorobenzotrichloride 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Chlorobenzotrichloride?

4-Chlorobenzotrichloride has molecular formula C7H4Cl4. Molecular weight about 229.91 g·mol⁻¹.

What is the CAS number of 4-Chlorobenzotrichloride?

The CAS Registry Number for 4-Chlorobenzotrichloride is 5216-25-1.

Run AI retrosynthesis for 4-Chlorobenzotrichloride Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C7H4Cl4.

Related targets

Similar compounds

(Trifluoromethoxy)benzene 1-(Dichloromethyl)-4-fluorobenzene 1-Chloro-4-(trifluoromethoxy)benzene 1-Iodo-4-(trifluoromethoxy)benzene 3-Chlorobenzyl chloride 4-(Trifluoromethoxy)aniline

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References & tools

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