Cas no 101126-67-4 (Dibenzo[b,e][1,4]dioxin,1,3,7,8-tetrachloro-2-nitro-)
101126-67-4 structure
Product Name:Dibenzo[b,e][1,4]dioxin,1,3,7,8-tetrachloro-2-nitro-
CAS No:101126-67-4
MF:C12H3Cl4NO4
MW:366.968519449234
CID:149066
PubChem ID:149104
Update Time:2025-04-19
Dibenzo[b,e][1,4]dioxin,1,3,7,8-tetrachloro-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Dibenzo[b,e][1,4]dioxin,1,3,7,8-tetrachloro-2-nitro-
- 1,3,7,8-tetrachloro-2-nitrodibenzo-p-dioxin
- 1,3,7,8-Tetrachloro-2-nitrooxanthrene
- DIBENZO(B,E)(1,4)DIOXIN, 1,3,7,8-TETRACHLORO-2-NITRO-
- 2-Nitro-1,3,7,8-tetrachlorodibenzo-p-dioxin
- 101126-67-4
- CHEMBL352987
- DTXSID60143745
- UNII-7U1CSL8H7N
- CCRIS 2668
- 7U1CSL8H7N
-
- Inchi: 1S/C12H3Cl4NO4/c13-4-1-7-8(2-5(4)14)21-12-9(20-7)3-6(15)11(10(12)16)17(18)19/h1-3H
- InChI Key: YCAPHOOJTVTGBO-UHFFFAOYSA-N
- SMILES: ClC1=C(C(=CC2=C1OC1C=C(C(=CC=1O2)Cl)Cl)Cl)[N+](=O)[O-]
Computed Properties
- Exact Mass: 364.88179
- Monoisotopic Mass: 364.882
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 423
- 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: 5.8
- Topological Polar Surface Area: 64.3?2
Experimental Properties
- Density: 1.765
- Boiling Point: 488°C at 760 mmHg
- Flash Point: 248.9°C
- Refractive Index: 1.679
- PSA: 61.6
- LogP: 6.62960
Dibenzo[b,e][1,4]dioxin,1,3,7,8-tetrachloro-2-nitro- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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