Cas no 15952-58-6 (1,3-Benzodioxole,4,5,6,7-tetrachloro-)
15952-58-6 structure
Product Name:1,3-Benzodioxole,4,5,6,7-tetrachloro-
CAS No:15952-58-6
MF:C7H2Cl4N2
MW:255.916177272797
CID:211078
PubChem ID:23471332
Update Time:2025-04-19
1,3-Benzodioxole,4,5,6,7-tetrachloro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole,4,5,6,7-tetrachloro-
- 4,5,6,7-tetrachloro-1H-benzimidazole
- 4,5,6,7-Tetrachloro-1,3-benzodioxole
- Benzene,1,2,3,4-tetrachloro-5,6-(methylenedioxy)- (8CI)
- TCBD
- 1,3-Benzodiazole, 4,5,6,7-tetrachloro-
- 4,5,6,7-tetrachlorobenzimidazole
- SCHEMBL11362326
- 4,5,6,7-Tetrachloro-1,3-benzodiazole
- CHEMBL595300
- 15952-58-6
- DTXSID80936116
-
- Inchi： 1S/C7H2Cl4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
- InChI Key： ILWGGMUSEHTKEQ-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=C(C2=C1NC=N2)Cl)Cl)Cl
Computed Properties
- Exact Mass: 83.934432
- Monoisotopic Mass: 83.934432
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 3
- Rotatable Bond Count: 0
- Complexity: 2
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
- XLogP3: 4
1,3-Benzodioxole,4,5,6,7-tetrachloro- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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