Cas no 2666-76-4 (Phenol,3-methyl-4-nitro-, sodium salt (1:1))
2666-76-4 structure
Product Name:Phenol,3-methyl-4-nitro-, sodium salt (1:1)
CAS No:2666-76-4
MF:C7H8NNaO3
MW:177.133092880249
CID:263056
PubChem ID:3083775
Update Time:2025-04-19
Phenol,3-methyl-4-nitro-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Phenol,3-methyl-4-nitro-, sodium salt (1:1)
- sodium,hydride,3-methyl-4-nitrophenol
- Natrium-3-methyl-4-nitrophenolat
- Nsc166526
- sodium 3-methyl-4-nitrophenate
- Sodium 3-methyl-4-nitrophenolate
- sodium 4-nitro-m-cresolate
- 2666-76-4
- NSC 166526
- EINECS 220-204-5
-
- Inchi： 1S/C7H7NO3.Na.H/c1-5-4-6(9)2-3-7(5)8(10)11;;/h2-4,9H,1H3;;/q;+1;-1
- InChI Key： UWXAVVMMTARJKQ-UHFFFAOYSA-N
- SMILES： [Na+].OC1C=CC(=C(C)C=1)[N+](=O)[O-].[H-]
Computed Properties
- Exact Mass: 219.01438
- Monoisotopic Mass: 176.032
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 165
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66A^2
Experimental Properties
- Density: 1.32
- Boiling Point: 304.9°Cat760mmHg
- Flash Point: 140°C
- PSA: 103.5
- LogP: 2.13200
Phenol,3-methyl-4-nitro-, sodium salt (1:1) Related Literature
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Meiyappan Muthuraman,Yvette Le Fur,Muriel Bagieu-Beucher,René Masse,Jean-Fran?ois Nicoud,Gautam R. Desiraju J. Mater. Chem. 1999 9 2233
-
Meiyappan Muthuraman,Muriel Bagieu-Beucher,René Masse,Jean-Fran?ois Nicoud,Gautam R. Desiraju J. Mater. Chem. 1999 9 1471
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