Cas no 6641-62-9 (2-(2-methylphenoxy)-1,3,5-trinitrobenzene)
6641-62-9 structure
Product Name:2-(2-methylphenoxy)-1,3,5-trinitrobenzene
CAS No:6641-62-9
MF:C13H9N3O7
MW:319.226463079453
CID:1709916
PubChem ID:240865
Update Time:2025-04-21
2-(2-methylphenoxy)-1,3,5-trinitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-methylphenoxy)-1,3,5-trinitrobenzene
- AR-1C6885
- Picryl-o-tolyl-aether
- AG-J-46389
- CTK5C4686
- Tolyl-(2-)-pikrylether
- NSC47659
- picryl-o-tolyl ether
- AC1Q20FS
- AC1L664D
- AR-1C6885; Picryl-o-tolyl-aether; AG-J-46389; CTK5C4686; Tolyl-(2-)-pikrylether; NSC47659; picryl-o-tolyl ether; AC1Q20FS; AC1L664D;
- DTXSID10286797
- NSC-47659
- 6641-62-9
-
- Inchi： 1S/C13H9N3O7/c1-8-4-2-3-5-12(8)23-13-10(15(19)20)6-9(14(17)18)7-11(13)16(21)22/h2-7H,1H3
- InChI Key： LQFAQCBTYURLSV-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1C)C1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 319.04407
- Monoisotopic Mass: 319.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 446
- 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: 3.3
- Topological Polar Surface Area: 147?2
Experimental Properties
- Density: 1.507
- Boiling Point: 389.8°C at 760 mmHg
- Flash Point: 158.6°C
- Refractive Index: 1.648
- PSA: 138.65
- LogP: 5.08150
2-(2-methylphenoxy)-1,3,5-trinitrobenzene Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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