(4-methoxyphenyl)(phenyl)methanone

• ChemBase编号: 89769
• 分子式: C14H12O2
• 平均质量: 212.24388
• 单一同位素质量: 212.08372962
• SMILES: O=C(c1ccc(cc1)OC)c1ccccc1
• Canonical SMILES: COc1ccc(cc1)C(=O)c1ccccc1
• InChI: InChI=1S/C14H12O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10H,1H3
• InChIKey: SWFHGTMLYIBPPA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-methoxyphenyl)(phenyl)methanone
• IUPAC传统名: (4-methoxyphenyl)(phenyl)methanone
• 别名: 4-甲氧基二苯甲酮; 4-甲氧基苯并苯基酮; 4-Methoxybenzophenone; (4-Methoxyphenyl)phenylmethanone; 4-Benzoylanisole; 4-Methoxybenzophenone; 4-Methoxyphenyl Phenyl Ketone; NSC 2194; Phenyl p-Anisyl Ketone; p-Benzoylanisole; p-Methoxybenzophenone; p-Methoxyphenyl Phenyl Ketone; 4-Methoxybenzophenone; 4-Methoxybenzophenone 98%; p-METHOXYBENZOPHENONE; (4-Methoxyphenyl)(phenyl)methanone

登记号

• CAS号: 611-94-9
• EC号: 210-285-5
• MDL号: MFCD00008403
• Beilstein号: 1104713
• PubChem SID: 24896583; 24883570; 162076625
• PubChem CID: 69146

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.2749276
• LogD (pH = 7.4): 3.2749276
• Log P: 3.2749276
• 摩尔折射率: 63.0967 cm^3
• 极化性: 24.51001 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 60-62°C; 60-63 °C(lit.); 60-63°C; 61-64 °C
• 沸点: 354-356 °C(lit.); 354-356°C

安全信息

• 保存注意事项: Irritant
• RTECS编号: PC4962500
• 德国WGK号: 2
• TSCA收录: 否
• GHS危险声明: H303
• GHS警示性声明: P312
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥98.0% (GC); 97%; 98%; 98+%
• 级别: purum
• 线性分子式: CH3OC6H4COC6H5

详细说明

MP Biomedicals - 05208409

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M10301

包装
25 g in poly bottle

Toronto Research Chemicals - M226080

4-Methoxybenzophenone and its analogues showed diverse plant growth-regulating actions such as inhibition of shoot and root growth, induction of chlorosis, and a disturbance in phototropism or geotropism. 4-Methoxybenzophenone is also used as a photopolym

参考文献

• Yamada, O. et al.: Agric. Biol. Chem., 38, 2017 (1974)
• Ruhlmann, D. et al.: Eur. Polym. J., 27, 991 (1974)