CAS 89-59-8

4-Chloro-1-methyl-2-nitrobenzene

Description:

4-Chloro-1-methyl-2-nitrobenzene, with the CAS number 89-59-8, is an organic compound belonging to the class of nitro-substituted aromatic compounds. It features a benzene ring substituted with a chlorine atom at the para position, a methyl group at the ortho position, and a nitro group at the meta position. This compound is typically a yellow crystalline solid that is sparingly soluble in water but more soluble in organic solvents such as ethanol and acetone. It exhibits moderate toxicity and can be harmful if ingested or inhaled, necessitating careful handling. The presence of both the nitro and chloro groups contributes to its reactivity, making it useful in various chemical syntheses, including the production of dyes and pharmaceuticals. Additionally, it can undergo electrophilic substitution reactions due to the electron-withdrawing nature of the nitro group, influencing its chemical behavior. Proper safety measures should be observed when working with this compound due to its potential environmental and health impacts.

Formula: C₇H₆ClNO₂

InChI: InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3

InChI key: InChIKey=SQFLFRQWPBEDHM-UHFFFAOYSA-N

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

Synonyms:

• 1-Chloro-4-methyl-3-nitrobenzene
• 2-Methyl-5-chloronitrobenzene
• 2-Nitro-4-chlorotoluene
• 4-Chloro-1-Methyl-2-Nitrobenzene
• 4-Chloro-2-nitro toluene
• 4-Chloro-2-nitro-1-methylbenzene
• 4-Chloro-2-nitrotoluene
• Ai3-00494
• Benzene, 4-chloro-1-methyl-2-nitro-
• Benzene, 4-chloro-1-methyl-3-nitro-
• Ccris 3116
• Nsc 5386
• Toluene, 4-chloro-2-nitro-

4-Chloro-2-nitrotoluene

CAS: 89-59-8

Formula: C₇H₆ClNO₂

Purity: min. 99.0 %(GC)

Color and Shape: White or Colorless to Yellow powder to lump to clear liquid

Molecular weight: 171.58

Ref: 3B-C0231

4-Chloro-2-nitrotoluene, 99%

CAS: 89-59-8

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₇H₆ClNO₂

Purity: 99%

Color and Shape: Pale yellow to yellow to pale brown, Crystals or powder or crystalline powder or lumps or fused solid

Molecular weight: 171.58

Ref: 02-B23382

4-Chloro-2-nitrotoluene

Controlled Product

CAS: 89-59-8

Formula: C₇H₆ClNO₂

Color and Shape: Neat

Molecular weight: 171.58

Ref: 04-C11456800

EPA Method 8091 Non-RCRA Analyte Mixture 426 1000 µg/mL in Isooctane:Toluene

Controlled Product

CAS: 100-00-5, 117-18-0, 17700-09-3, 18708-70-8, 3209-22-1, 610-40-2, 611-06-3, 618-62-2, 83-42-1, 879-39-0, 88-73-3, 89-59-8, 89-60-1, 89-61-2, 89-69-0, 97-00-7, 99-54-7

Color and Shape: Mixture

Ref: 04-A50000426IT

4-Chloro-2-nitrotoluene

CAS: 89-59-8

4-Chloro-2-nitrotoluene

Purity: 98%

Molecular weight: 171.58g/mol

Ref: 54-OR956302

4-Chloro-2-nitrotoluene

CAS: 89-59-8

Formula: C₇H₆ClNO₂

Molecular weight: 171.58

Ref: ST-EA-CP-CS0558

4-Chloro-2-nitrotoluene

CAS: 89-59-8

Formula: C₇H₆ClNO₂

Purity: 95.0%

Color and Shape: Solid

Molecular weight: 171.58

Ref: 10-F221731

4-Chloro-2-nitrotoluene

CAS: 89-59-8

4-Chloro-2-nitrotoluene is a chemical compound that is a nitro derivative of toluene. It is a white crystalline solid with the formula CHClNO. 4-Chloro-2-nitrotoluene has been shown to have constant boiling point, vibrational frequency and zirconium content at constant pressure. The thermodynamic properties of this compound are also constant, with values for free energy and entropy being -28.5 and 115.5 respectively. The molecule can be described by the functional theory, which states that it contains one nitro group and one monocarboxylic acid group in its molecular structure. 4-Chloro-2-nitrotoluene can be optimised using computational methods such as databases or molecular modeling software where it can be introduced into other molecules to form new compounds.BR>BR> 4-Chloro-2-nitrotoluene (CH

Formula: C₇H₆ClNO₂

Purity: Min. 95%

Molecular weight: 171.58 g/mol

Ref: 3D-FC52326