(2-methyl-3-phenylphenyl)methanol

• ChemBase编号: 138402
• 分子式: C14H14O
• 平均质量: 198.26036
• 单一同位素质量: 198.10446507
• SMILES: Cc1c(cccc1c1ccccc1)CO
• Canonical SMILES: OCc1cccc(c1C)c1ccccc1
• InChI: InChI=1S/C14H14O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3
• InChIKey: BGTLHJPGBIVQLJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-methyl-3-phenylphenyl)methanol
• IUPAC传统名: (2-methyl-3-phenylphenyl)methanol
• 别名: 2-甲基-3-羟甲基联苯; (2-Methyl-[1,1'-biphenyl]-3-yl)methanol; 2-Methyl-3-biphenylmethanol; 2-Methyl-[1,1'-biphenyl]-3-methanol; 2-Methyl-3-phenylbenzyl Alcohol; 2-Methylbiphenyl-3-ylmethanol; 3-Hydroxymethyl-2-methylbiphenyl; 2-Methyl-3-biphenylmethanol

登记号

• CAS号: 76350-90-8
• MDL号: MFCD00134200
• PubChem SID: 162232658; 24862242
• PubChem CID: 596875

理论计算性质

• Acid pKa: 14.989897
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 3.3665428
• LogD (pH = 7.4): 3.3665428
• Log P: 3.3665428
• 摩尔折射率: 63.0513 cm^3
• 极化性: 25.631832 Å^3
• 极化表面积: 20.23 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

• 溶解度: Chloroform
• 外观: White Solid
• 熔点: 73-76 °C(lit.)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 95+%; 97%
• 线性分子式: C6H5C6H3(CH3)CH2OH

详细说明

Sigma Aldrich - 361631

包装
50 g in glass bottle

Toronto Research Chemicals - M294130

Bifenthrin intermediate.

参考文献

• Hamed, M., et al.: J. Econ. Entomol., 81, 1295 (1988)
• Ruzo, Luis O., et al.: J. Agric. Food Chem., 36, 1040 (1988)