2-Bromo-3-methylaniline

• CAS: 54879-20-8
• Catalog Number: ACM54879208
• Category: Bromine Series
• Molecular Weight: 186.051
• Molecular Formula: C₇H₈BrN
• Synonyms: 2-Bromo-3-methylaniline, 54879-20-8, 2-bromo-3-methyl-Benzenamine, 3-Amino-2-bromotoluene, 2-bromo-3-methylphenylamine, Benzenamine, 2-bromo-3-methyl-, AG-F-91473, ACMC-20af7i, SureCN5768, AC1LCOB4, 2-bromo-3-methylbenzenamine, AE-562/43287138, KSC602O1N, 2-Bromo-3-Methylaniline 98, 645621_ALDRICH, Benzenamine,2-bromo-3-methyl-, CTK5A2716, MolPort-003-938-205, ANW-70636, CL8387
• IUPAC Name: 2-bromo-3-methylaniline
• Canonical SMILES: CC1=C(C(=CC=C1)N)Br
• InChI Key: VJNUZLYTGSGDHR-UHFFFAOYSA-N
• Boiling Point: 48ºC0.03 mm Hg(lit.)
• Flash Point: >230 °F
• Density: 1.489 g/mL at 25ºC(lit.)
• Exact Mass: 184.98400
• Hazard Statements: Xn
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Safety Description: 36/37

Custom Q&A

What is the molecular formula of 2-Bromo-3-methylaniline?

The molecular formula of 2-Bromo-3-methylaniline is C7H8BrN.

What is the molecular weight of 2-Bromo-3-methylaniline?

The molecular weight of 2-Bromo-3-methylaniline is 186.05 g/mol.

What is the IUPAC name of 2-Bromo-3-methylaniline?

The IUPAC name of 2-Bromo-3-methylaniline is 2-bromo-3-methylaniline.

What is the InChI of 2-Bromo-3-methylaniline?

The InChI of 2-Bromo-3-methylaniline is InChI=1S/C7H8BrN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3.

What is the InChIKey of 2-Bromo-3-methylaniline?

The InChIKey of 2-Bromo-3-methylaniline is VJNUZLYTGSGDHR-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Bromo-3-methylaniline?

The canonical SMILES of 2-Bromo-3-methylaniline is CC1=C(C(=CC=C1)N)Br.

What is the CAS number of 2-Bromo-3-methylaniline?

The CAS number of 2-Bromo-3-methylaniline is 54879-20-8.

What is the European Community (EC) number of 2-Bromo-3-methylaniline?

The European Community (EC) number of 2-Bromo-3-methylaniline is 627-752-8.

What is the DSSTox Substance ID of 2-Bromo-3-methylaniline?

The DSSTox Substance ID of 2-Bromo-3-methylaniline is DTXSID30345330.

Is 2-Bromo-3-methylaniline considered a canonicalized compound?

Yes, 2-Bromo-3-methylaniline is considered a canonicalized compound.