Cas no 2552-45-6 (Methyl 4-Chloro-3,5-dinitrobenzoate)
2552-45-6 structure
Product Name:Methyl 4-Chloro-3,5-dinitrobenzoate
CAS No:2552-45-6
MF:C8H5ClN2O6
MW:260.588101148605
CID:265385
PubChem ID:96161
Update Time:2025-04-19
Methyl 4-Chloro-3,5-dinitrobenzoate Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-chloro-3,5-dinitro-, methyl ester
- METHYL 4-CHLORO-3,5-DINITROBENZOATE
- 4-Chlor-3,5-dinitro-benzoesaeure-methylester
- 4-chloro-3,5-dinitrobenzoic acid methyl ester
- CS-0361862
- NCIOpen2_002407
- 2552-45-6
- 4-Chloro-3,5-dinitro-benzoic acid methyl ester
- SCHEMBL645817
- NSC 56926
- NSC-56926
- 92U5UH86LK
- methyl-4-chloro-3,5-dinitro-benzoate
- DTXSID10180221
- Metyl 4-chloro-3,5-dinitrobenzoate
- FT-0706767
- Benzoic acid, 4-chloro-3,5-dinitro-, methyl ester
- AKOS001581866
- NSC56926
- Methyl 4-chloro-3,5-dinitro-benzoate
- Methyl 4-Chloro-3,5-dinitrobenzoate
-
- MDL： MFCD00016986
- Inchi： 1S/C8H5ClN2O6/c1-17-8(12)4-2-5(10(13)14)7(9)6(3-4)11(15)16/h2-3H,1H3
- InChI Key： YJUFTUQWRBJBJN-UHFFFAOYSA-N
- SMILES： ClC1=C(C=C(C(=O)OC)C=C1[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 259.98400
- Monoisotopic Mass: 259.984
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 314
- 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: 2.8
- Topological Polar Surface Area: 118A^2
Experimental Properties
- Density: 1.599
- Boiling Point: 381.4°Cat760mmHg
- Flash Point: 184.5°C
- Refractive Index: 1.603
- PSA: 117.94000
- LogP: 2.98940
Methyl 4-Chloro-3,5-dinitrobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B500113-10mg |
Methyl 4-Chloro-3,5-dinitrobenzoate |
2552-45-6 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B500113-50mg |
Methyl 4-Chloro-3,5-dinitrobenzoate |
2552-45-6 | 50mg |
$ 95.00 | 2022-06-07 | ||
| TRC | B500113-100mg |
Methyl 4-Chloro-3,5-dinitrobenzoate |
2552-45-6 | 100mg |
$ 160.00 | 2022-06-07 |
Methyl 4-Chloro-3,5-dinitrobenzoate Related Literature
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Jaqueline S. A. Badaro,Beata Koszarna,Manon H. E. Bousquet,Erik T. Ouellette,Denis Jacquemin,Daniel T. Gryko Org. Chem. Front. 2022 9 1861
-
2. The stabilities of Meisenheimer complexes. Part 42. Kinetic studies of the reactions of methyl 3,5-dinitrobenzoate and of methyl 4-chloro-3,5-dinitrobenzoate with hydroxide ions in dimethyl sulphoxide–water mixtures. Competitive nucleophilic attack at aryl and carbonyl carbon atomsMichael R. Crampton,Colin Greenhalgh J. Chem. Soc. Perkin Trans. 2 1986 873
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3. 438. Bisbenzylisoquinolines. Part II. The synthesis of 5-(2-aminoethyl)-4′-carboxy-2 : 3-dimethoxydiphenyl etherJ. R. Crowder,M. F. Grundon,J. R. Lewis J. Chem. Soc. 1958 2142
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E. T. Borrows,J. C. Clayton,B. A. Hems,A. G. Long J. Chem. Soc. 1949 S190
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5. Participation of o-carboxylate groups in aromatic nucleophilic substitutionR. Muthukrishnan,R. Kannan,S. Swaminathan J. Chem. Soc. Perkin Trans. 1 1973 2949
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