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名称

4-硝基咪唑

分子类型

小分子

英文别名

1H-Imidazole, 4-nitro- | CL 205086 (9CI) | NSC 50359 | 4-nitro-3H-imidazole | MLS001304931 | 4-Nitroimidazole, 97% | AB00374225-05 | HMS2234E17 | W-106949 | EC 221-224-7 | 4-NITRO-1H-IMIDAZOLE | 1H-4-Nitroimidazole | SY001473 | HY-78644 | SCHEMBL44903 | 5

英文名称

4-Nitroimidazole

货号

N113599-100g

包装规格

100g

浓度

≥98%

储存温度

室温

运输条件

常规运输

产品介绍

4-Nitroimidazole is an intermediate during the synthesis of 1-methyl-2,4,5-trinitro imidazole. Usually used in a study to investigate the catalytic efficiency of heterocyclic compounds in the peroxyoxalate chemiluminescence reaction using bis(2,4,6-trichlorophenyl)oxalate as reagent. 4-Nitroimidazole is an intermediate during the synthesis of 1-methyl-2,4,5-trinitro imidazole. Usually used in a study to investigate the catalytic efficiency of heterocyclic compounds in the peroxyoxalate chemiluminescence reaction using bis(2,4,6-trichlorophenyl)oxalate as reagent.

应用

Usually used in a study to investigate the catalytic efficiency of heterocyclic compounds in the peroxyoxalate chemiluminescence reaction using bis(2,4,6-trichlorophenyl)oxalate as reagent.

CAS号

3034-38-6

分子式

C3H3N3O2

分子量

113.07 g/mol

Beilstein号

2815

EC号

221-224-7

MDL号

MFCD00005196

PubChem编号

18208

Isomeric SMILES

C1=C(NC=N1)[N+](=O)[O-]

IIUPAC Name

5-nitro-1H-imidazole

INCHI

1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)

InChi Key

VYDWQPKRHOGLPA-UHFFFAOYSA-N

Smiles

C1=C(NC=N1)[N+](=O)[O-]

PubChem SID

504752872

熔点

303°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

113.023 Da

单同位素质量Monoisotopic Mass

113.023 Da

拓扑极表面积Topological Polar Surface Area

74.500 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

99.200

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

0.000

密度

1.552

闪点(℃)

200 °C

沸点

404.8ºC

Reaxy-Rn

606969

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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