(3-methoxyphenyl)boronic acid

• ChemBase ID: 9449
• Molecular Formular: C7H9BO3
• Molecular Mass: 151.95556
• Monoisotopic Mass: 152.06447455
• SMILES: B(c1cccc(c1)OC)(O)O
• Canonical SMILES: COc1cccc(c1)B(O)O
• InChI: InChI=1S/C7H9BO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3
• InChIKey: NLLGFYPSWCMUIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxyphenyl)boronic acid
• IUPAC Traditional name: 3-methoxyphenylboronic acid
• Synonyms: 3-Methoxyphenylboronic acid; (m-Methoxyphenyl)boronic acid; m-Methoxybenzeneboronic acid; m-Anisylboronic acid; 3-Methoxybenzeneboronic acid; 3-Methoxyphenylboronic acid; (3-methoxyphenyl)boranediol; B-(2-Methoxyphenyl)boronic Acid; o-Methoxybenzeneboronic Acid; (2-Methoxyphenyl)boronic Acid; (2-Methoxyphenyl)boric Acid; 2-Methoxybenzeneboronic Acid; 2-Methoxyphenylboronic Acid; o-Anisylboronic Acid; o-Methoxyphenylboronic Acid; 2-Methoxylphenylboronic Acid (contains varying amounts of Anhydride); B-(3-Methoxyphenyl)boronic Acid; (3-Methoxyphenyl)boronic Acid; (3-Methyloxyphenyl)boronic Acid; 3-Methoxylphenylboronic Acid (contains varying amounts of Anhydride); 3-Boronoanisole; 3-Methoxybenzeneboronic acid; (3-methoxyphenyl)boronic acid; 3-Methoxyphenylboronic acid; 3-Methoxybenzeneboronic acid; 间甲氧基苯硼酸; 3-甲氧基苯硼酸

Database IDs

• CAS Number: 5720-06-9; 10365-98-7
• MDL Number: MFCD00161359
• Beilstein Number: 2831223
• PubChem SID: 160972756; 24867696
• PubChem CID: 2734370

CALCULATED PROPERTIES

• Acid pKa: 8.656432
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3867989
• LogD (pH = 7.4): 1.3638042
• Log P: 1.3871
• Molar Refractivity: 37.0667 cm^3
• Polarizability: 16.0519 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158-162°C; 160-162°C; 160-163 °C(lit.); 160-163°C
• Hydrophobicity(logP): 1.514

Safety Information

• Storage Warning: IRRITANT; Irritant/Moisture Sensitive/Keep Cold/Store under Argon
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%; 98%
• Linear Formula: CH3OC6H4B(OH)2

DETAILS

Sigma Aldrich - 441686

Other Notes
Contains varying amounts of anhydride
Packaging
1, 10 g in glass bottle

Toronto Research Chemicals - M260935

2-Methoxylphenylboronic Acid is a phenylboronic acid used to investigate boron function in plants.

Toronto Research Chemicals - M260940

3-Methoxylphenylboronic Acid is a phenylboronic acid used to investigate boron function in plants.

REFERENCES

• Baldwin, T., et al.: Plant Physiol., 103, 115 (1993)
• Andeme-Onzighi, C., et al.: Planta, 215, 949 (1993)
• Brown, P., et al.: Plant Biol. 4, 205 (1993)
• Baldwin, T., et al.: Plant Physiol., 103, 115 (1993)
• Andeme-Onzighi, C., et al.: Planta, 215, 949 (1993)
• Brown, P., et al.: Plant Biol. 4, 205 (1993)