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Product details

名称

4-氰基苯甲酸

分子类型

小分子

别名

对苯二甲酸单腈 | 氰苯甲酸 | 对氰苯甲酸 | 对氰苄酸

英文别名

NCGC00255602-01 | p-Cyanobenzoic acid | AC-2506 | AC-907/25014365 | 50Z9A3423Z | Benzoic acid, 4-cyano- | CK2166 | FT-0618298 | 4-Cyanobenzoicacid | p-Carboxybenzonitrile | CYANOBENZOIC ACID, 4- | EINECS 210-606-9 | STR03453 | DTXSID9041659 | Tox21_302120

英文名称

4-Cyanobenzoic acid

货号

C108511-500g

包装规格

500g

浓度

≥98%

储存温度

充氩

运输条件

常规运输

敏感性

对湿度、空气敏感

产品介绍

与热碱生成对苯二甲酸。溶于乙醇、乙醚、热水和热乙酸中。有机合成。 Product Application： 4-Cyanobenzoic acid is used as an inhibitor. 4-cyanobenzaldehyde and 4-cyanobenzoic acid can inhibit both the monophenolase activity and the diphenolase activity of mushroom tyrosinase.

应用

有机合成。

CAS号

619-65-8

分子式

C8H5NO2

分子量

147.13 g/mol

Beilstein号

1862865

EC号

210-606-9

MDL号

MFCD00002528

PubChem编号

12087

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)O

IIUPAC Name

4-cyanobenzoic acid

INCHI

1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)

InChi Key

ADCUEPOHPCPMCE-UHFFFAOYSA-N

Smiles

C1=CC(=CC=C1C#N)C(=O)O

溶解性

Soluble in methanol.

熔点

218°C-225°C

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

147.032 Da

单同位素质量Monoisotopic Mass

147.032 Da

拓扑极表面积Topological Polar Surface Area

61.100 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

195.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.600

Reaxy-Rn

1862865

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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