Cas no 95192-58-8 (Benzoic acid,4-iodo-2,6-dinitro-)
95192-58-8 structure
Product Name:Benzoic acid,4-iodo-2,6-dinitro-
CAS No:95192-58-8
MF:C7H3IN2O6
MW:338.01299405098
CID:803549
PubChem ID:2762948
Update Time:2025-04-19
Benzoic acid,4-iodo-2,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-iodo-2,6-dinitro-
- 2,6-DINITRO-4-IODOBENZOIC ACID
- 4-iodo-2,6-dinitrobenzoic acid
- 95192-58-8
- DTXSID90376600
- 3-(4-METHOXYPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLICACID
- FT-0738946
-
- Inchi： 1S/C7H3IN2O6/c8-3-1-4(9(13)14)6(7(11)12)5(2-3)10(15)16/h1-2H,(H,11,12)
- InChI Key： ICBYGRQHOGFPOM-UHFFFAOYSA-N
- SMILES： IC1C=C(C(C(=O)O)=C(C=1)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 337.90400
- Monoisotopic Mass: 337.904
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 300
- 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: 1.8
- Topological Polar Surface Area: 129?2
Experimental Properties
- Density: 2.288
- Boiling Point: 434.6 oC at 760 mmHg
- Flash Point: 216.6 oC
- Refractive Index: 1.733
- PSA: 128.94000
- LogP: 2.85220
Benzoic acid,4-iodo-2,6-dinitro- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
-
Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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