Cas no 27165-07-7 (Benzenediazonium,2-methyl-5-nitro-)
27165-07-7 structure
Product Name:Benzenediazonium,2-methyl-5-nitro-
CAS No:27165-07-7
MF:C7H6N3O2
MW:164.141440868378
CID:279047
PubChem ID:105775
Update Time:2025-04-19
Benzenediazonium,2-methyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenediazonium,2-methyl-5-nitro-
- 2-METHOXY-5-NITROBENZENEDIAZONIUM
- 2-methyl-5-nitrobenzenediazonium
- 27165-07-7
- EINECS 248-280-5
- NS00049066
- DTXSID90865342
- Benzenediazonium, 2-methyl-5-nitro-
- SCHEMBL6650087
-
- Inchi： 1S/C7H6N3O2/c1-5-2-3-6(10(11)12)4-7(5)9-8/h2-4H,1H3/q+1
- InChI Key： BTODPCCUJFGIMS-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(C)=C(C=1)[N+]#N)=O
Computed Properties
- Exact Mass: 164.04608
- Monoisotopic Mass: 164.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 227
- 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: 3.2
- Topological Polar Surface Area: 74A^2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 71.29
Benzenediazonium,2-methyl-5-nitro- Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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