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名称

2-氯-5-硝基苯甲酸

分子类型

小分子

英文别名

SCHEMBL231222 | STK498300 | W-107255 | Benzoic acid, 2-chloro-5-nitro- | BBL008923 | NSC 8441 | FT-0611830 | VS-02007 | AC-2641 | 2-Chloro-5-nitrobenzoic acid, 97% | 2-chloro-5-nitrobenzoyl alcohol | AF-407/05487047 | AM20050211 | EC 219-739-7 | 2-CHLORO-

英文名称

2-Chloro-5-nitrobenzoic Acid

货号

C101748-100g

包装规格

100g

浓度

≥99%

运输条件

常规运输

产品介绍

用于合成2-氯-5-氨基苯甲酸、5-硝基水杨酸及其酯类、酰胺类中间体。 2-Chloro-5-nitrobenzoic acid undergoes microwave-assisted, regioselective amination reaction with aliphatic and aromatic amines to yield N-substituted 5-nitroanthranilic acid derivatives. It acts as ligand and forms a red luminescent one dimensional coordination polymer with Eu(III).

CAS号

2516-96-3

分子式

C7H4ClNO4

分子量

201.56 g/mol

Beilstein号

1877474

EC号

219-739-7

MDL号

MFCD00007294

PubChem编号

17287

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

IIUPAC Name

2-chloro-5-nitrobenzoic acid

INCHI

1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)

InChi Key

QUEKGYQTRJVEQC-UHFFFAOYSA-N

Smiles

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

PubChem SID

488182377

熔点

165-168°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

200.983 Da

单同位素质量Monoisotopic Mass

200.983 Da

拓扑极表面积Topological Polar Surface Area

83.100 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

227.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.000

密度

1.6

Reaxy-Rn

1877474

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

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「No related articles yet」

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