Chlorobenzene (C6H5Cl)

Chlorobenzene (C6H5Cl; CAS 108-90-7) is a practical retrosynthesis target. Chlorobenzene presents a C6 framework, aromatic rings, halogen substitution. Open AI route search in one click below.

Target: Chlorobenzene
CAS: 108-90-7
Formula: C6H5Cl
Approx. MW: 112.56
SMILES: Clc1ccccc1
PubChem CID: 7964
Approx. carbons: C6

Chlorobenzene structure

Properties

IUPAC name: chlorobenzene
Common names: CHLOROBENZENE; 108-90-7; Monochlorobenzene; Phenyl chloride; Benzene chloride; Chlorobenzol; Chlorbenzene; Monochlorbenzene; Monochlorbenzol; Chlorbenzol
Molecular weight: 112.55
Exact mass: 112.01
InChIKey: MVPPADPHJFYWMZ-UHFFFAOYSA-N
Melting point: -49 °F (NTP, 1992)
Boiling point: 270 °F at 760 mmHg (NTP, 1992)
Density: 1.11 at 68 °F (USCG, 1999) - Denser than water; will sink

View on PubChem

Chlorobenzene 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Chlorobenzene?

Chlorobenzene has molecular formula C6H5Cl. Molecular weight about 112.56 g·mol⁻¹.

What is the CAS number of Chlorobenzene?

The CAS Registry Number for Chlorobenzene is 108-90-7.

Run AI retrosynthesis for Chlorobenzene Target catalog AI tools overview

One click loads Chlorobenzene into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

(3-bromophenyl)boronic Acid 1-Bromo-2-chloro-3-fluorobenzene 1-Bromo-2-chlorobenzene 1-Bromo-2-Iodobenzene 1-Bromo-3-chlorobenzene 1-Bromo-4-chlorobenzene

Browse the full target catalog

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.