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1-Chloro-3-nitrobenzene (C6H4ClNO2)

1-Chloro-3-nitrobenzene presents a C6 framework, aromatic rings, a nitro group (formula C6H4ClNO2, CAS 121-73-3). ChemicalTool Reaction can propose ranked disconnections for 1-Chloro-3-nitrobenzene from the SMILES O=[N+]([O-])c1cccc(Cl)c1.

Target
1-Chloro-3-nitrobenzene
CAS
121-73-3
Formula
C6H4ClNO2
Approx. MW
157.55
SMILES
O=[N+]([O-])c1cccc(Cl)c1
PubChem CID
8489
Approx. carbons
C6

1-Chloro-3-nitrobenzene structure

Properties

IUPAC name
1-chloro-3-nitrobenzene
Common names
1-Chloro-3-nitrobenzene; 121-73-3; m-Chloronitrobenzene; m-Nitrochlorobenzene; 3-Chloronitrobenzene; Chloro-m-nitrobenzene; 3-Chloro-1-nitrobenzene; BENZENE, 1-CHLORO-3-NITRO-; Metachloronitrobenzene; 1-Nitro-3-chlorobenzene
Molecular weight
157.55
Exact mass
156.99
InChIKey
KMAQZIILEGKYQZ-UHFFFAOYSA-N
Melting point
115 °F (NTP, 1992)
Boiling point
455 to 457 °F at 760 mmHg (NTP, 1992)
Density
1.343 (NTP, 1992) - Denser than water; will sink

View on PubChem

1-Chloro-3-nitrobenzene 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 1-Chloro-3-nitrobenzene?

1-Chloro-3-nitrobenzene has molecular formula C6H4ClNO2. Molecular weight about 157.55 g·mol⁻¹.

What is the CAS number of 1-Chloro-3-nitrobenzene?

The CAS Registry Number for 1-Chloro-3-nitrobenzene is 121-73-3.

Run AI retrosynthesis for 1-Chloro-3-nitrobenzene Target catalog AI tools overview

Open the planner with 1-Chloro-3-nitrobenzene preloaded, then keep routes that match CAS 121-73-3.

Related targets

Similar compounds

2-Chloronitrobenzene4-Chloronitrobenzene1-Bromo-2-nitrobenzene1-Bromo-3-nitrobenzene1-Bromo-4-nitrobenzene1-Iodo-3-nitrobenzene

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References & tools