邻羟基苯乙酸 | 614-75-5
中文名称:
邻羟基苯乙酸
英文名称:
2-Hydroxyphenylacetic acid
CAS No.:
614-75-5
分子式:
C8 H8 O3
分子量:
152.1473
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:邻羟基苯乙酸结构式
名称和标识符
MDL
MFCD00004323
InChIKey
CCVYRRGZDBSHFU-UHFFFAOYSA-N
Inchi
1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
SMILES
O([H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])C(=O)O[H]
BRN
908000
别名信息
- 中文别名 -
邻羟基苯乙酸
2-羟基苯乙酸
2-Hydroxyphenylacetic Acid 2-羟基苯乙酸
邻羟基***
邻羟基苯乙酸,2-Hydroxyphenylacetic acid
2-(2-羟基苯基)乙酸
邻羟基苯醋酸
邻羟基苯乙酸 2-羟基苯乙酸
- 英文别名 -
2-Hydroxyphenylacetic acid
O-hydroxyphenylacetic acid
2-(2-HYDROXYPHENYL)ACETIC ACID
o-Hydroxy-phenylacetic acid
(2-Hydroxyphenyl)acetic acid
Benzeneacetic acid, 2-hydroxy-
2-Hydroxybenzeneacetic acid
Acetic acid, (o-hydroxyphenyl)-
2-Hydroxyphenylacetate
(o-Hydroxyphenyl)acetic acid
ortho-Hydroxyphenylacetic acid
2-Hydroxyphenylaceticacid
o-Hydroxy phenylacetic acid
UK3R9Q59AV
CCVYRRGZDBSHFU-UHFFFAOYSA-N
(2-HYDROXYPHENYL)-ACETIC ACID
(o-Hydroxyphenyl)acetate
2
bmse000715
s6154
CS-W016306
A26509
BDBM16426
2-HPAA
NSC-62000
2-(Hydroxyphenyl)acetic acid
2-hydroxy-benzeneaceticaci
2-hydroxyphenylacetate
Hydroxyphenylacetate
2-Hydroxyphenylacetic acid, ReagentPlus(R), 99%
InChI=1/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11
Z608061328
MFCD00004323
2-hydroxy-phenylacetic acid
DTXSID1060633
Q27103728
PD099467
2-(2-hydroxyphenyl)acetic acid
UNII-UK3R9Q59AV
EINECS 210-393-2
2-hydroxy-benzeneacetic acid
2-Hydroxybenzeneacetate
2-Hydroxyphenylacetic acid, Vetec(TM) reagent grade, 98%
(2-hydroxy-phenyl)-acetic acid
2'-hydroxyphenylacetic acid
NS00014664
FT-0612632
(o-hydroxyphenyl)-Acetic acid
614-75-5
O-HYDROXYPHENYLACETIC ACID
NSC 62000
Acetic acid, 2-hydroxyphenyl-
HY-W015590
AC-2695
BP-13099
AM20060692
H-7080
Hydroxyphenylacetic acid
C05852
CHEMBL240714
2-hydroxy phenylacetic acid
FS-2587
HYDROXYPHENYLACETIC ACID, O-
CHEBI:28478
SCHEMBL72309
7C10F5F6-7BF6-48EE-85EE-22D3FA4D62B1
H0340
(o-hydroxyphenyl)-Acetate
AKOS004909470
EN300-50865
NSC62000
OHP
2-Hydroxyphenylacetic acid,98%
物化性质
实验特性
LogP
1.01930
PSA
57.53000
折射率
1.4945 (estimate)
水溶性
Soluble in Methanol and Water.
沸点
240°C (estimate)
熔点
145-147 °C (lit.)
闪点
162.6±18.8 °C
颜色与性状
No data available
密度
1.2143 (rough estimate)
计算特性
精确分子量
152.04700
氢键供体数量
2
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)
0.9
表面电荷
0
拓扑分子极性表面积
57.5
海关数据
海关编码
29182990
海关数据
中国海关编码:
2918290000
概述:
2918290000 其他含酚基但不含其他含氧基羧酸及其酸酐、酰卤化物、过氧化物和过氧酸及它们的衍生物。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。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
监管条件:
A.入境货物通关单 B.出境货物通关单
检验检疫类别:
R.进口食品卫生监督检验 S.出口食品卫生监督检验
Summary:
HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%
生产方法和用途
用途
用作医药合成的重要中间体,杀菌剂嘧菌酯的中间体。
生产方法
1. 烟草:FC,54;BU,26。
相关文献
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2.
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3.
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Xiaojuan Deng,Wenbin Li,Guosheng Ding,Xiaoping Chen Analyst 2018 143 2665
4.
Enantioselective separation of RS-mandelic acid using β-cyclodextrin modified Fe3O4@SiO2/Au microspheres
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5.
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6.
The enantiopreference in the solid state probed in lamivudine crystal forms with mandelic acid
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7.
Ru-catalyzed decarboxylative cyclization of mandelic acids with acrylates: facile access to the phthalide skeleton
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8.
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9.
Structural aspects of optical resolutions. Optical resolution of (R,S)-mandelic acid. DSC and X-ray studies of the diastereoisomeric salts
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参考资料
Reaxys RN
908000
Beilstein
908000
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