2-Bromo-4-nitrotoluene

• CAS: 7745-93-9
• Catalog Number: ACM7745939
• Category: Bromine Series
• Molecular Weight: 216.03
• Molecular Formula: C₇H₆NO₂Br
• Synonyms: 2-Bromo-4-nitrotoluene, B74402_ALDRICH, Toluene, 2-bromo-4-nitro-, 1-Bromo-2-methyl-5-nitrobenzene, 2-Bromo-1-methyl-4-nitrobenzene, Benzene, 2-bromo-1-methyl-4-nitro-, EINECS 231-809-9, NSC402166, SBB007843, ZINC01081254, FR-0441, TL80073548, AE-641/04636041, 7745-93-9
• IUPAC Name: 2-bromo-1-methyl-4-nitrobenzene
• Canonical SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])Br
• InChI Key: XFZFJQHXWJIBQV-UHFFFAOYSA-N
• Boiling Point: 280.4ºC at 760 mmHg
• Melting Point: 75-78ºC
• Flash Point: 123.4ºC
• Density: 1.615 g/cm³
• Appearance: faint yellow to yellow powder.
• EC Number: 231-809-9
• Exact Mass: 214.95800
• Hazard Statements: Xn:Harmful
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Packing Group: I; II; III
• Safety Description: S22-S26-S36/37/39
• Stability: Stable under normal temperatures and pressures.
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2-Bromo-4-nitrotoluene?

The molecular formula is C7H6BrNO2.

What is the molecular weight of 2-Bromo-4-nitrotoluene?

The molecular weight is 216.03 g/mol.

What is the IUPAC name of 2-Bromo-4-nitrotoluene?

The IUPAC name is 2-bromo-1-methyl-4-nitrobenzene.

What is the InChI of 2-Bromo-4-nitrotoluene?

The InChI is InChI=1S/C7H6BrNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3.

What is the InChIKey of 2-Bromo-4-nitrotoluene?

The InChIKey is XFZFJQHXWJIBQV-UHFFFAOYSA-N.

What is the CAS number of 2-Bromo-4-nitrotoluene?

The CAS number is 7745-93-9.

What is the EC number of 2-Bromo-4-nitrotoluene?

The EC number is 231-809-9.

What is the DSSTox Substance ID of 2-Bromo-4-nitrotoluene?

The DSSTox Substance ID is DTXSID20228163.

What is the XLogP3 value of 2-Bromo-4-nitrotoluene?

The XLogP3 value is 3.2.

Is 2-Bromo-4-nitrotoluene a canonicalized compound?

Yes, 2-Bromo-4-nitrotoluene is canonicalized.