Cas no 303-21-9 (Phenol,3-methyl-6-(1-methylethyl)-2,4-dinitro-)
303-21-9 structure
Product Name:Phenol,3-methyl-6-(1-methylethyl)-2,4-dinitro-
Phenol,3-methyl-6-(1-methylethyl)-2,4-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,3-methyl-6-(1-methylethyl)-2,4-dinitro-
- 2,6-dinitrothymol
- 3-methyl-2,4-dinitro-6-propan-2-ylphenol
- AI3-15485
- Phenol, 3-methyl-6-(1-methylethyl)-2,4-dinitro-
- m-Cresol, 2,4-dinitro-6-isopropyl-
- NSC 6767
- Thymol,6-dinitro-
- Thymol, 2,6-dinitro-
- UNII-HWQ252SSA6
- NSC-6767
- 3-06-00-01911 (Beilstein Handbook Reference)
- WLN: WNR BQ F1 DNW CY1 & 1
- 2,4-Dinitrothymol
- NSC6767
- Dinitrothymol 1-2-4 [French]
- DTXSID6059786
- Dinitrothymol 1-2-4
- 2-Isopropyl-4,6-dinitro-5-methyl phenol
- NS00028894
- HWQ252SSA6
- BRN 2059319
- AKOS022144985
- m-Cresol, 2,4-dinitro-6-isobropyl-
- m-Cresol,4-dinitro-6-isopropyl-
- EINECS 206-135-3
- 303-21-9
-
- Inchi： 1S/C10H12N2O5/c1-5(2)7-4-8(11(14)15)6(3)9(10(7)13)12(16)17/h4-5,13H,1-3H3
- InChI Key： XBCVBHKJVWVNID-UHFFFAOYSA-N
- SMILES： OC1C(=C(C)C(=CC=1C(C)C)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 240.07466
- Monoisotopic Mass: 240.074622
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 309
- 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
- Topological Polar Surface Area: 112
- XLogP3: 3.3
Experimental Properties
- Density: 1.3518 (rough estimate)
- Melting Point: >250°C
- Boiling Point: 382.92°C (rough estimate)
- Flash Point: 128.8°C
- Refractive Index: 1.6620 (estimate)
- Solubility: Solubility Insoluble in water; soluble in ethanol, methanol
- PSA: 106.51
- pka: 4.86(at 25℃)
- PH: Colorless (2.2) to yellow (3.4)
Phenol,3-methyl-6-(1-methylethyl)-2,4-dinitro- Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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