Cas no 58704-54-4 (Benzene,1,2-dimethyldinitro- (9CI))
58704-54-4 structure
Product Name:Benzene,1,2-dimethyldinitro- (9CI)
CAS No:58704-54-4
MF:C8H8N2O4
MW:196.160121917725
CID:377214
PubChem ID:3017121
Update Time:2025-04-19
Benzene,1,2-dimethyldinitro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,2-dimethyldinitro- (9CI)
- dinitro-o-xylene
- 1,2-bis(nitromethyl)benzene
- 58704-54-4
- Dinitroxylol
- SCHEMBL1369756
- EINECS 261-398-1
- 1,2-dimethyl-3,4-dinitrobenzene
- DTXSID10949436
- NS00053846
- 26590-18-1
- AKOS005158884
- 603-06-5
-
- Inchi： 1S/C8H8N2O4/c1-5-3-4-7(9(11)12)8(6(5)2)10(13)14/h3-4H,1-2H3
- InChI Key： VLKYKLNZVULGQK-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=C(C=CC(C)=C1C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 196.04844
- Monoisotopic Mass: 196.04840674g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 245
- 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: 2.3
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- PSA: 86.28
Benzene,1,2-dimethyldinitro- (9CI) Related Literature
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
58704-54-4 (Benzene,1,2-dimethyldinitro- (9CI)) Related Products
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