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名称

对硝基苯腈

分子类型

小分子

别名

4-硝基苯腈 | 4-硝基苄腈 | 对硝基苯甲腈

英文别名

4-nitrobenzonitril | STR03675 | 4-NITRO BENZONITRILE | AI3-00478 | 4-(TOLUENE-4-SULFONYLAMINO)-CYCLOHEXANECARBOXYLICACID | p-Cyanonitrobenzene | SCHEMBL57257 | Benzonitrile, 4-nitro- | NSC 5383 | BCP13970 | AKOS000119952 | NSC5383 | NSC-5383 | AC-2480 | U

英文名称

4-Nitrobenzonitrile

货号

N107605-500g

包装规格

500g

浓度

≥97%

运输条件

常规运输

CAS号

619-72-7

分子式

C7H4N2O2

分子量

148.12 g/mol

Beilstein号

972078

EC号

210-610-0

MDL号

MFCD00007279

PubChem编号

12090

Isomeric SMILES

C1=CC(=CC=C1C#N)[N+](=O)[O-]

IIUPAC Name

4-nitrobenzonitrile

INCHI

1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H

InChi Key

NKJIFDNZPGLLSH-UHFFFAOYSA-N

Smiles

C1=CC(=CC=C1C#N)[N+](=O)[O-]

PubChem SID

488181542

溶解性

可溶于甲醇

熔点

147°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

148.027 Da

单同位素质量Monoisotopic Mass

148.027 Da

拓扑极表面积Topological Polar Surface Area

69.600 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

192.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.200

密度

1.31

Reaxy-Rn

972078

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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