424870

4-Bromo-3-nitrotoluene

technical grade, 90%

• Linear Formula: CH₃C₆H₃(NO₂)Br
• CAS Number: 5326-34-1
• Molecular Weight: 216.03
• EC Number: 226-203-6
• MDL number: MFCD00024180
• UNSPSC Code: 12352100
• PubChem Substance ID: 24866594
• NACRES: NA.22

Properties

• grade: technical grade
• assay: 90%
• bp: 151.5-152.5 °C/14 mmHg (lit.)
• mp: 31-33 °C (lit.)
• density: 1.578 g/mL at 25 °C (lit.)
• SMILES string: Cc1ccc(Br)c(c1)[N+]([O-])=O
• InChI: 1S/C7H6BrNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
• InChI key: UPBUTKQMDPHQAQ-UHFFFAOYSA-N

Description

General description

4-Bromo-3-nitrotoluene (2-bromo-5-methylnitrobenzene, 1-bromo-4-methyl-2-nitrobenzene) is a halonitrobenzene. It has been synthesized from 4-methyl-2-nitroaniline and confirmed by ¹H NMR. The crystal structure of 1-bromo-4-methyl-2-nitrobenzene is found to be orthorhombic in the Pna2₁ space group. Its enthalpy of vaporization at boiling point has been determined.

Application

4-Bromo-3-nitrotoluene may be used as a starting material in the synthesis of 2-bromo-5-methylaniline and as a reagent in the synthesis of 2-nitro-4:4′-dimethyl-diphenyl by reacting with p-iodotoluene.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter