Cas no 19404-15-0 (Benzene,2-methoxy-4-methyl-1,3,5-trinitro-)
19404-15-0 structure
Product Name:Benzene,2-methoxy-4-methyl-1,3,5-trinitro-
CAS No:19404-15-0
MF:C8H7N3O7
MW:257.157081842422
CID:236845
PubChem ID:264649
Update Time:2025-04-19
Benzene,2-methoxy-4-methyl-1,3,5-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,2-methoxy-4-methyl-1,3,5-trinitro-
- 2-methoxy-4-methyl-1,3,5-trinitrobenzene
- 2.4.6-Trinitro-3-methoxy-1-methyl-benzol
- 2.4.6-Trinitro-3-methoxy-toluol
- 3-Methoxy-2,4,6-trinitro-toluol
- 3-methyl-2,4,6-trinitro-anisole
- 3-Methyl-2.4.6-trinitro-anisol
- AC1L6C9R
- AC1Q1YA3
- AG-K-87956
- AR-1E3085
- CTK4E1423
- Methyl-(2.4.6-trinitro-3-methyl-phenyl)-aether
- NSC99823
- DTXSID30295129
- NSC-99823
- 19404-15-0
-
- Inchi： 1S/C8H7N3O7/c1-4-5(9(12)13)3-6(10(14)15)8(18-2)7(4)11(16)17/h3H,1-2H3
- InChI Key： HNSFWPZUDZKPKS-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C=C(C(C)=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 257.02841
- Monoisotopic Mass: 257.028
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 357
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 147?2
Experimental Properties
- Density: 1.556
- Boiling Point: 419.1°Cat760mmHg
- Flash Point: 204°C
- Refractive Index: 1.611
- PSA: 138.65
- LogP: 3.29780
Benzene,2-methoxy-4-methyl-1,3,5-trinitro- Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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