CAS 618-86-0

1-Chloro-3,5-dinitrobenzene

Description:

1-Chloro-3,5-dinitrobenzene is an aromatic compound characterized by the presence of a chlorine atom and two nitro groups attached to a benzene ring. Its molecular formula is C6H3ClN2O4, and it features a chlorobenzene structure with nitro substituents at the 3 and 5 positions. This compound is typically a yellow crystalline solid, exhibiting a relatively high melting point. It is known for its use in organic synthesis and as an intermediate in the production of dyes and pharmaceuticals. 1-Chloro-3,5-dinitrobenzene is also recognized for its potential toxicity and environmental impact, necessitating careful handling and disposal. The nitro groups contribute to its reactivity, making it a useful reagent in various chemical reactions, including electrophilic substitution. However, due to its hazardous nature, it is important to follow safety protocols when working with this substance, as it may pose risks to human health and the environment.

Formula: C₆H₃ClN₂O₄

InChI: InChI=1S/C6H3ClN2O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H

InChI key: InChIKey=GFJKASVFAWFUNI-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=CC(N(=O)=O)=CC(Cl)=C1

Synonyms:

• 1-Chloro-3,5-dinitrobenzene
• 3,5-Dinitrochlorobenzene
• m-Dinitrochlorobenzene
• Benzene, 1-chloro-3,5-dinitro-

3,5-Dinitrochlorobenzene

Controlled Product

CAS: 618-86-0

Applications 3,5-Dinitrochlorobenzene is used to study strength and directionality of halogen bond are co-detected by the magnitude and size of the σ-hole.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Kolar, M., et al.: Phys. Chem. Chem. Phys., 16, 9987 (2014);

Formula: C₆H₃ClN₂O₄

Color and Shape: White To Off-White

Molecular weight: 202.55

Ref: TR-D480885