2-Methyl-5-nitrophenylboronic acid

• CAS: 100960-11-0
• Catalog Number: ACM100960110
• Category: Boronic Acids
• Molecular Weight: 180.95
• Molecular Formula: C₇H₈BNO₄
• Synonyms: 2-Methyl-5-nitrophenylboronic acid, M4432G1, 100960-11-0
• IUPAC Name: (2-methyl-5-nitrophenyl)boronic acid
• Canonical SMILES: B(C1=C(C=CC(=C1)[N+](=O)[O-])C)(O)O
• InChI Key: HRJFQIRIDFXMNX-UHFFFAOYSA-N
• Boiling Point: 389.1ºC at 760mmHg
• Melting Point: 56-60ºC
• Flash Point: 189.2ºC
• Density: 1.33g/cm³
• Appearance: off-white solid
• Exact Mass: 181.05500
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Safety Description: 26-36/37/39-36

Custom Q&A

What is the molecular formula of 2-Methyl-5-nitrophenylboronic acid?

The molecular formula of 2-Methyl-5-nitrophenylboronic acid is C7H8BNO4.

What is the molecular weight of 2-Methyl-5-nitrophenylboronic acid?

The molecular weight of 2-Methyl-5-nitrophenylboronic acid is 180.96 g/mol.

What is the IUPAC name of 2-Methyl-5-nitrophenylboronic acid?

The IUPAC name of 2-Methyl-5-nitrophenylboronic acid is (2-methyl-5-nitrophenyl)boronic acid.

What is the InChI of 2-Methyl-5-nitrophenylboronic acid?

The InChI of 2-Methyl-5-nitrophenylboronic acid is InChI=1S/C7H8BNO4/c1-5-2-3-6(9(12)13)4-7(5)8(10)11/h2-4,10-11H,1H3.

What is the InChIKey of 2-Methyl-5-nitrophenylboronic acid?

The InChIKey of 2-Methyl-5-nitrophenylboronic acid is HRJFQIRIDFXMNX-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Methyl-5-nitrophenylboronic acid?

The canonical SMILES of 2-Methyl-5-nitrophenylboronic acid is B(C1=C(C=CC(=C1)[N+](=O)[O-])C)(O)O.

What is the CAS number of 2-Methyl-5-nitrophenylboronic acid?

The CAS number of 2-Methyl-5-nitrophenylboronic acid is 100960-11-0.

What is the EC number of 2-Methyl-5-nitrophenylboronic acid?

The EC number of 2-Methyl-5-nitrophenylboronic acid is 640-438-5.

Is 2-Methyl-5-nitrophenylboronic acid a canonicalized compound?

Yes, 2-Methyl-5-nitrophenylboronic acid is a canonicalized compound.