基本描述

别名	安息香酸钠 \| 苯甲酸钠盐
英文别名	Benzoic Acid Sodium Salt
规格或纯度	医药级, PharmPure™
英文名称	Sodium benzoate
应用	A benzene compound used as a synthetic reagent.
运输条件	常规运输
产品介绍	Sodium benzoate is a reagent used in the synthesis of benzene-based derivatives, specifically 5-pyrazolinone derivatives, and aminoflavones and trihydroxybenzoyl flavanoid analogs.A benzene compound used as a synthetic reagent.

关联靶点（人）

CA2 Tclin Carbonic anhydrase II (17698 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CA5A Tclin Carbonic anhydrase VA (1168 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CA9 Tclin Carbonic anhydrase IX (8255 活性数据)

点击查看靶蛋白信息： CA9

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

FFAR3 Tchem Free fatty acid receptor 3 (304 活性数据)

点击查看靶蛋白信息： FFAR3

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

CA4 Carbonic anhydrase IV (1713 活性数据)

点击查看靶蛋白信息： CA4

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Carbonic anhydrase (69 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

PubChem SID	504758990
EC号	208-534-8
分子类型	小分子
IIUPAC Name	sodium;benzoate
INCHI	1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
InChi Key	WXMKPNITSTVMEF-UHFFFAOYSA-M
Smiles	C1=CC=C(C=C1)C(=O)[O-].[Na+]
Isomeric SMILES	C1=CC=C(C=C1)C(=O)[O-].[Na+]
分子量	144.10
Beilstein号	3572467

化学和物理性质

溶解性	Soluble in water and alcohol.
密度	1.44
敏感性	对湿度敏感
闪点(℃)	>100°C
熔点	436 °C
分子量	144.100 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count	0
氢键受体数Hydrogen Bond Acceptor Count	2
可旋转键计数Rotatable Bond Count	1
精确质量Exact Mass	144.019 Da
单同位素质量Monoisotopic Mass	144.019 Da
拓扑极表面积Topological Polar Surface Area	40.100 Å²
重原子数Heavy Atom Count	10
形式电荷Formal Charge	0
复杂度Complexity	108.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	2

安全和危险性（GHS）

象形图	GHS07
信号词	Warning
WGK Germany	1
RTECS	DH6650000
Merck Index	8582
个人防护装备	Eyeshields,Gloves,type N95 (US),type P1 (EN143) respirator filter

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引用文献

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