Cas no 4812-43-5 ( )
structure
Product Name:
CAS No:4812-43-5
MF:C7H3Cl3N2
MW:221.471118211746
CID:931801
PubChem ID:344585
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4,5,6-Trichlor-1(3)H-benzimidazol; AC1L80W2; SureCN1192540; 4,5,6-trichloro-1H-benzoimidazole; 4,5,6,-Trichlorbenzimidazol; 4,5,6-trichloro-1(3)H-benzimidazole; 4,5,6-trichloro-1(3)H-benzoimidazole; NSC401567;
- 4812-43-5
- NSC-401567
- NSC 401567
- 4,5,6-trichloro-1H-benzoimidazole
- SCHEMBL1192540
- DTXSID60322578
- NSC401567
- QULAOTHQGHPERK-UHFFFAOYSA-N
-
-
- Inchi： 1S/C7H3Cl3N2/c8-3-1-4-7(12-2-11-4)6(10)5(3)9/h1-2H,(H,11,12)
- InChI Key： QULAOTHQGHPERK-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=CC2=C1N=CN2)Cl)Cl
Computed Properties
- Exact Mass: 219.93639
- Monoisotopic Mass: 219.936
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 178
- 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: 3.4
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- Density: 1.691
- Boiling Point: 456.8°C at 760 mmHg
- Flash Point: 262.5°C
- Refractive Index: 1.712
- PSA: 28.68
Related Literature
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1. 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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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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