Cas no 26590-18-1 (Benzene,dimethyldinitro-)
Benzene,dimethyldinitro- structure
Product Name:Benzene,dimethyldinitro-
CAS No:26590-18-1
MF:C8H8N2O4
MW:196.160121917725
CID:256995
PubChem ID:3017121
Update Time:2025-04-19
Benzene,dimethyldinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,dimethyldinitro-
- Dinitroxylene
- 58704-54-4
- Dinitroxylol
- SCHEMBL1369756
- EINECS 261-398-1
- 1,2-dimethyl-3,4-dinitrobenzene
- DTXSID10949436
- NS00053846
- Dinitro-o-xylene
- 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: 196.048
- 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,dimethyldinitro- Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
26590-18-1 (Benzene,dimethyldinitro-) Related Products
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