381799

2-Bromo-3-nitrotoluene

99%

• Linear Formula: CH₃C₆H₃(NO₂)Br
• CAS Number: 41085-43-2
• Molecular Weight: 216.03
• MDL number: MFCD00134555
• UNSPSC Code: 12352100
• PubChem Substance ID: 24863837
• NACRES: NA.22

Properties

• assay: 99%
• form: solid
• bp: 135-136 °C/8 mmHg (lit.)
• mp: 38-41 °C (lit.)
• density: 0.803 g/mL at 25 °C (lit.)
• SMILES string: Cc1cccc(c1Br)[N+]([O-])=O
• InChI: 1S/C7H6BrNO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3
• InChI key: GCAAVRIWNMTOKB-UHFFFAOYSA-N

Description

General description

Crystal structure of 2-bromo-3-nitrotoluene has been studied and the dihedral angle between the nitro group and the phenyl ring is reported to be 54.1(4)°.

Application

2-Bromo-3-nitrotoluene may be used in the preparation of unsymmetrical dimethyl dinitro biphenyl, via Ullmann reaction. It may be used as starting material in the synthesis of 10-methylfluoranthene.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332,H315,H319,H335
• pcodes: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves