Cas no 101126-66-3 (Dibenzo[b,e][1,4]dioxin,2-chloro-7-nitro-)
![Dibenzo[b,e][1,4]dioxin,2-chloro-7-nitro- structure](https://ossimg.kuujia.com/scimg/101500/101126-66-3x500.png)
101126-66-3 structure
Product Name:Dibenzo[b,e][1,4]dioxin,2-chloro-7-nitro-
CAS No:101126-66-3
MF:C12H6ClNO4
MW:263.633342266083
CID:161842
PubChem ID:149103
Update Time:2025-04-19
Dibenzo[b,e][1,4]dioxin,2-chloro-7-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Dibenzo[b,e][1,4]dioxin,2-chloro-7-nitro-
- 2-chloro-7-nitrodibenzo-p-dioxin
- 2-Chloro-7-nitrodibenzo(b,e)(1,4)dioxin
- Dibenzo(b,e)(1,4)dioxin, 2-chloro-7-nitro-
- 101126-66-3
- DTXSID00143744
-
- Inchi： 1S/C12H6ClNO4/c13-7-1-3-9-11(5-7)17-10-4-2-8(14(15)16)6-12(10)18-9/h1-6H
- InChI Key： BRESZLYCRIZXLL-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)OC1C=CC(=CC=1O2)[N+](=O)[O-]
Computed Properties
- Exact Mass: 262.99858
- Monoisotopic Mass: 262.998535
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 335
- 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: 64.3
- XLogP3: 3.5
Experimental Properties
- Density: 1.533
- Boiling Point: 397.1°Cat760mmHg
- Flash Point: 194°C
- Refractive Index: 1.664
- PSA: 61.6
- LogP: 4.66940
Dibenzo[b,e][1,4]dioxin,2-chloro-7-nitro- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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