3-甲氧基苯甲酸 | 586-38-9
中文名称:
3-甲氧基苯甲酸
英文名称:
3-Methoxybenzoic acid
CAS No.:
586-38-9
分子式:
C8 H8 O3
分子量:
152.1473
名称和标识符
MDL
MFCD00002499
InChIKey
XHQZJYCNDZAGLW-UHFFFAOYSA-N
Inchi
1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
SMILES
O(C([H])([H])[H])C1=C([H])C([H])=C([H])C(C(=O)O[H])=C1[H]
BRN
0508838
别名信息
- 中文别名 -
3-甲氧基苯甲酸
间甲氧基苯甲酸
间茴香酸
m-Anisic Acid 间茴香酸
间甲
- 英文别名 -
m-Anisic acid
meta-anisic acid
3-Methoxybenzoic acid
M-methoxy benzoic acid
3-ANISIC ACID
3-MeO-Ph-COOH
3-methoxy-benzoic acid
3-methoxy-benzoicaci
3-OMeC6H4COOH
5-methoxybenzoic acid
AURORA 4252
FEMA 3944
m-Anisc Acid
meta-methoxylbenzoic acid
RARECHEM AL BO 0041
m-Methoxybenzoic acid
Benzoic acid, 3-methoxy-
m-Methylsalicylic acid
E2I36FH6QZ
BENZOIC ACID,3-METHOXY
XHQZJYCNDZAGLW-UHFFFAOYSA-N
WLN: QVR CO1
3-Carboxyanisole
3methoxybenzoic acid
PubChem9012
3-methoxylbenzoic aci
3-Methoxybenzoic Acid
物化性质
实验特性
LogP
1.39340
PSA
46.53000
折射率
1.4945 (estimate)
水溶性
Soluble in 95% ethanol (50 mg/ml), water (2 mg/ml at 25°C) and methanol.
沸点
170-172 °C/10 mmHg(lit.)
熔点
105-107 °C (lit.)
闪点
170-172℃/10mm
FEMA
3944 | 3-METHOXYBENZOIC ACID
溶解度
95% ethanol: soluble50mg/mL, clear, colorless to faintly yellow
颜色与性状
Powder
溶解性
溶于醇、醚等有机溶剂,不溶于水
酸度系数(pKa)
4.10(at 25℃)
密度
1.2143 (rough estimate)
计算特性
精确分子量
152.04700
氢键供体数量
1
氢键受体数量
3
可旋转化学键数量
2
同位素质量
152.047344
重原子数量
11
复杂度
144
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
2
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
46.5
海关数据
海关编码
2918990090
海关数据
中国海关编码:
2918990090
概述:
2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
生产方法和用途
用途
用作农药、医药中间体
有机合成。农药、医药中间体。
相关文献
1.
CYP199A4 catalyses the efficient demethylation and demethenylation of para-substituted benzoic acid derivatives
Tom Coleman,Rebecca R. Chao,John B. Bruning,James J. De Voss,Stephen G. Bell RSC Adv. 2015 5 52007
2.
Aminoalcohols and benzoates-friends or foes? Tuning nuclearity of Cu(ii) complexes, studies of their structures, magnetism, and catecholase-like activities as well as performing DFT and TDDFT studies
Farasha Sama,Ashish Kumar Dhara,Muhammad Nadeem Akhtar,Yan-Cong Chen,Ming-Liang Tong,Istikhar A. Ansari,Mukul Raizada,Musheer Ahmad,M. Shahid,Zafar A. Siddiqi Dalton Trans. 2017 46 9801
3.
CLXIV.—4-Sulpho-3-hydroxybenzoic acid
Madhavlal Sukhlal Shah J. Chem. Soc. 1930 1293
4.
321. Thiols derived from o-, m-, and p-methoxy-toluenes and -benzoic acids
Madhavlal S. Shah,Chinubhai T. Bhatt,Darab D. Kanga J. Chem. Soc. 1933 1375
5.
Understanding the near-infrared fluorescence and field-induced single-molecule-magnetic properties of dinuclear and one-dimensional-chain ytterbium complexes based on 2-hydroxy-3-methoxybenzoic acid
Wen-Bin Chen,Li Zhong,Yun-Jing Zhong,Yi-Quan Zhang,Song Gao,Wen Dong Inorg. Chem. Front. 2020 7 3136
6.
Carboxylation of anisole derivatives with CO and O2 catalyzed by Pd(OAc)2 and molybdovanadophosphates
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A deciduous directing group approach for the addition of aryl and vinyl nucleophiles to maleimides
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LXII.—The constitution and synthesis of damascenine, the alkaloid of nigella damascena
Arthur James Ewins J. Chem. Soc. Trans. 1912 101 544
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M. E. McEntee,A. R. Pinder J. Chem. Soc. 1957 4419
参考资料
Reaxys RN
508838
Beilstein
508838
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