Cas no 4436-27-5 (2-iodo-1,3,5-trinitrobenzene)
2-iodo-1,3,5-trinitrobenzene structure
Product Name:2-iodo-1,3,5-trinitrobenzene
CAS No:4436-27-5
MF:C6H2IN3O6
MW:339.001053333282
CID:1516287
PubChem ID:78172
Update Time:2025-04-21
2-iodo-1,3,5-trinitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 2-iodo-1,3,5-trinitrobenzene
- 2-iodo-1,3,5-trinitro-benzene
- picryl iodide
- 1-Iodo-2,4,6-trinitrobenzene
- T5315061
- CTK1D7079
- NSC76678
- 1-Iodo-2,6--trinitrobenzene
- 2-Jod-1,3,5-trinitro-benzol
- AC1L2UNA
- AC1Q5AJ3
- NSC-76678
- Z57056417
- 2-Iodo-1,3,5-trinitrobenzene #
- EINECS 224-645-4
- NS00031419
- WTS9M3PB8N
- DTXSID70196146
- NSC 76678
- DS-013410
- AKOS001092691
- Benzene, 2-iodo-1,3,5-trinitro-
- 2-Jod-1,3,5-trinitrobenzol
- 4436-27-5
-
- Inchi： 1S/C6H2IN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H
- InChI Key： ZECBCPLUOMIFAA-UHFFFAOYSA-N
- SMILES： IC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 338.89836
- Monoisotopic Mass: 338.89883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 296
- 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: 1.9
- Topological Polar Surface Area: 138?2
Experimental Properties
- PSA: 129.42
- LogP: 3.58540
2-iodo-1,3,5-trinitrobenzene Related Literature
-
Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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3. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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