1022-07-7 ((Benzenamine,N-methyl-2,4,6-trinitro-)

快速询单

结构式：

Benzenamine,N-methyl-2,4,6-trinitro-MOL文件

CAS号：

1022-07-7

英文名称：

Benzenamine,N-methyl-2,4,6-trinitro-

分子式：

C₇H₆N₄O₆

分子量：

242.14574098587

Benzenamine,N-methyl-2,4,6-trinitro-(1022-07-7)名称与标识符

名称

英文别名：

Benzenamine,N-methyl-2,4,6-trinitro-;N-Methyl-2,4,6-trinitroaniline;1-Methylamino-2,4,6-trinitrobenzene;2,4,6-Trinitro-N-methyl-aniline;Benzenamine,N-methyl-2,4,6-trinitro;methyl(2,4,6-trinitrophenyl)amine;N-methyl-2,4,6-trinitro-aniline;N-Methyl-2,6-trinitroaniline;N-Methylpicramide;N-methyl-picramine;N-methylpicrylamine;NISTC1022077;N-Methyl-2,4,6-trinitrobenzenamine;N-(2,4,6-Trinitrophenyl)methanamine;DTXSID00144731;NSC-227954;EINECS 213-821-6;UNII-N6PNU35V9B;NSC 227954;CFYAUGJHWXGWHI-UHFFFAOYSA-N;NSC227954;Aniline, N-methyl-2,4,6-trinitro-;Benzenamine, N-methyl-2,4,6-trinitro-;1022-07-7;N6PNU35V9B;SCHEMBL3305172;NS00023125;

标识符

InChIKey：

CFYAUGJHWXGWHI-UHFFFAOYSA-N

Inchi：

1S/C7H6N4O6/c1-8-7-5(10(14)15)2-4(9(12)13)3-6(7)11(16)17/h2-3,8H,1H3

SMILES：

[O-][N+](C1C=C(C=C(C=1NC)[N+](=O)[O-])[N+](=O)[O-])=O

Benzenamine,N-methyl-2,4,6-trinitro-(1022-07-7)物化性质

实验特性

LogP : 3.09550
PSA : 149.49000
折射率 : 1.694
沸点 : 390.1°Cat760mmHg
闪点 : 189.7°C
密度 : 1.676

计算特性

精确分子量 : 242.02900
氢键供体数量 : 1
氢键受体数量 : 7
可旋转化学键数量 : 1
同位素质量 : 242.028734
重原子数量 : 17
复杂度 : 307
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.2
拓扑分子极性表面积 : 150

Benzenamine,N-methyl-2,4,6-trinitro-(1022-07-7)海关数据

海关编码：

2921430090

海关数据：

中国海关编码：

2921430090

概述：

2921430090 甲苯胺及其衍生物以及它们的盐. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:6.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 原产地证据文件及编号(例附原产地证书, 原产于欧盟的

Summary：

HS:2921430090 toluidines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Benzenamine,N-methyl-2,4,6-trinitro-(1022-07-7)上下游

四氧化二氮二甲基苯胺 1-methyl-1-phenylurea 四氯化碳乙醚醋酸硝酸邻氨基亚苄基苯腙

Benzenamine,N-methyl-2,4,6-trinitro-(1022-07-7)相关文献

1. 884. Nitration at nitrogen and oxygen centres. Part I. Kinetics and mechanism of the conversion of secondary amines into nitroamines
E. D. Hughes,Christopher Ingold,R. B. Pearson J. Chem. Soc. 1958 4357
2. 485. The reaction of nitrogen dioxide with some methylnitroanilines
B. L. Hollingsworth J. Chem. Soc. 1959 2420
3. A spectroscopic study of the reversible reactions of aromatic nitrocompounds with sulphur bases
M. R. Crampton J. Chem. Soc. B 1968 1208
4. 465. Secondary hydrogen isotope effects. Part III. The mechanism of N-nitration
E. A. Halevi,Arza Ron,Shammai Speiser J. Chem. Soc. 1965 2560
5. 161. Secondary hydrogen isotope effects. Part I. Strengths of α-deuterated carboxylic acids and amines
E. A. Halevi,M. Nussim,A. Ron J. Chem. Soc. 1963 866
6. 885. Nitration at nitrogen and oxygen centres. Part II. Kinetics and mechanism of the conversion of alcohols, glycols, and glycerol into their nitric esters
Eileen L. Blackall,E. D. Hughes,Christopher Ingold,R. B. Pearson J. Chem. Soc. 1958 4366
7. Organic chemistry
P. D. B. de la Mare,T. S. Stevens,J. H. Ridd,Y. Pocker,C. A. Bunton,J. McKenna,A. G. Davies,G. H. Whitham,M. F. Ansell,J. Tedder,A. R. Pinder,J. E. Saxton,W. G. Overend,D. T. Elmore Annu. Rep. Prog. Chem. 1959 56 159
8. Aromatic rearrangements
E. D. Hughes,C. K. Ingold Q. Rev. Chem. Soc. 1952 6 34
9. Reactions of aromatic nitro-compounds in alkaline media. Part XI. Structural investigations by proton magnetic resonance spectroscopy
M. R. Crampton,V. Gold J. Chem. Soc. B 1966 893
10. The stabilities of Meisenheimer complexes. Part 18. Proton transfer and σ-complex formation in the reactions of N-substituted 2,4,6-trinitroanilines (picramides) with sodium methoxide in methanol
Michael R. Crampton,Brenda Gibson J. Chem. Soc. Perkin Trans. 2 1980 752

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