(3-methoxyphenyl)boronic acid

• ChemBase编号: 9449
• 分子式: C7H9BO3
• 平均质量: 151.95556
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: (3-methoxyphenyl)boronic acid
• IUPAC传统名: 3-methoxyphenylboronic acid
• 别名: 间甲氧基苯硼酸; 3-甲氧基苯硼酸; 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

登记号

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

理论计算性质

• Acid pKa: 8.656432
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.3867989
• LogD (pH = 7.4): 1.3638042
• Log P: 1.3871
• 摩尔折射率: 37.0667 cm^3
• 极化性: 16.0519 Å^3
• 极化表面积: 49.69 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 158-162°C; 160-162°C; 160-163 °C(lit.); 160-163°C
• 疏水性(logP): 1.514

安全信息

• 保存注意事项: IRRITANT; Irritant/Moisture Sensitive/Keep Cold/Store under Argon
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38; 36/37/38
• 安全公开号: 26-36; 26-37
• TSCA收录: false; 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H335; H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 95%; 97%; 98%
• 线性分子式: CH3OC6H4B(OH)2

详细说明

Sigma Aldrich - 441686

Other Notes
含不定量的酸酐
包装
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.

参考文献

• 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)