Cas no 34505-32-3 (2-Nitromesitylene)
2-Nitromesitylene structure
Product Name:2-Nitromesitylene
CAS No:34505-32-3
MF:C9H11NO2
MW:165.189142465591
CID:294918
Update Time:2023-08-02
2-Nitromesitylene Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,3,5-trimethyl-2-nitro-, radical ion(1-)
- 2,4,6-Trimethylnitrobenzene radical anion
- 2-Nitromesitylene radical ion(1-)
- Mesitylene,2-nitro-, radical ion(1-) (8CI)
- Nitromesitylene radical anion
- 2-Nitromesitylene
- 1,3,5-Trimethyl-2-nitrobenzene
- Nitromesitylene
- Mononitromesitylene
- Mesitylene, 2-nitro-
- Benzene, 1,3,5-trimethyl-2-nitro-
- 2,4,6-Trimethylnitrobenzene
- 2,4,6-Trimethyl-1-nitrobenzene
- 1,3,5-trimethyl-2-nitro-benzene
- Benzene,1,3,5-trimethyl-2-nitro-
- SCEKDQTVGHRSNS-UHFFFAOYSA-N
- NSC5413
- 2,6-Trimethylnitrobenzene
- 1,5-Trimethyl-2-nitrobenzene
- 2,6-Trimethyl-1-nitrobenzene
- Mesitylene, 2-nitro- (
-
- Inchi： 1S/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3
- InChI Key： SCEKDQTVGHRSNS-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(C)=CC(C)=CC=1C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 164
- XLogP3: 2.8
- Topological Polar Surface Area: 45.8
Experimental Properties
- Melting Point: 44.0 °C
- Boiling Point: 255.0 °C
2-Nitromesitylene Related Literature
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Guangyu Zhang,Simin Sun,Shili Hou,Jiaxi Xu Org. Biomol. Chem. 2022 20 5470
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Subhasis Dey,Plaboni Sen,Anjali Patel,Biswa Mohan Prusty,Siddhartha Sankar Ghosh,Debasis Manna Org. Biomol. Chem. 2022 20 7803
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Jianfeng Ran,Xuxu Wang,Yuanhong Liu,Shaohua Yin,Shiwei Li,Libo Zhang Mater. Horiz. 2023 10 2343
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4. 15N nuclear polarisation in nitration and related reactions. Part 1. MesityleneAnthony H. Clemens,John H. Ridd,John P. B. Sandall J. Chem. Soc. Perkin Trans. 2 1984 1659
-
5. Electrophilic aromatic substitution. Part 17. Products, kinetics, and mechanism of nitration in trifluoroacetic acidRoy B. Moodie,Kenneth Schofield,Geoffrey D. Tobin J. Chem. Soc. Perkin Trans. 2 1977 1688
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