1,2-Dichloro-4-methyl-5-(methylsulfonyl)-3-nitrobenzene
[CAS# 849035-79-6]

Identification

• Name: 1,2-Dichloro-4-methyl-5-(methylsulfonyl)-3-nitrobenzene
• Synonyms: 1,2-Dichloro-4-methyl-5-(methylsulfonyl)-3-nitro; 1,2-Dichloro-4-methyl-5-(methylsulphonyl)-3-nitrobenzene; 1,2-Dichloro-4-methyl-5-(methylsulphonyl)-3-nitrobenzene, 3,4-Dichloro-6-(methylsulphonyl)-2-nitrotoluene
• Molecular Formula: C₈H₇Cl₂NO₄S
• Molecular Weight: 284.12
• CAS Registry Number: 849035-79-6
• SMILES: Clc1c([N+]([O-])=O)c(c(cc1Cl)S(=O)(=O)C)C
• InChI: 1S/C8H7Cl2NO4S/c1-4-6(16(2,14)15)3-5(9)7(10)8(4)11(12)13/h3H,1-2H3
• InChIKey: PNBUHMQSSOVURL-UHFFFAOYSA-N

Properties

• Density: 1.551g/cm³ (Cal.)
• Melting point: 163-165°C (Expl.)
• Boiling point: 446.382°C at 760 mmHg (Cal.)
• Flash point: 223.764°C (Cal.)
• Refractive index: 1.575 (Cal.)

Safety Data

• Safety Description: Irritant