Cas no 34875-98-4 (2-methoxyaniline;1,3,5-trinitrobenzene)
34875-98-4 structure
Product Name:2-methoxyaniline;1,3,5-trinitrobenzene
CAS No:34875-98-4
MF:C13H12N4O7
MW:336.256982803345
CID:919636
PubChem ID:348607
Update Time:2025-04-19
2-methoxyaniline;1,3,5-trinitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 2-methoxyaniline,1,3,5-trinitrobenzene
- 1,3,5-trinitrobenzene
- 2-methoxyaniline
- AC1L89WS
- NSC408003
- o-Anisidin, 2,4,6-Trinitrotoluol-Komplex
- NSC-408003
- 34875-98-4
- DTXSID90324929
- 2-methoxyaniline; 1,3,5-trinitrobenzene
- 2-methoxyaniline;1,3,5-trinitrobenzene
-
- Inchi： 1S/C7H9NO.C6H3N3O6/c1-9-7-5-3-2-4-6(7)8;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h2-5H,8H2,1H3;1-3H
- InChI Key： AIMVWCGMHCOYKA-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC=CC=1N.[O-][N+](C1C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 336.07066
- Monoisotopic Mass: 336.071
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 314
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 173?2
Experimental Properties
- Boiling Point: 315°C at 760 mmHg
- Flash Point: 164.1°C
- PSA: 164.67
- LogP: 4.83940
2-methoxyaniline;1,3,5-trinitrobenzene Related Literature
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
34875-98-4 (2-methoxyaniline;1,3,5-trinitrobenzene) Related Products
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