Cas no 99902-86-0 (4-(3,4-dichlorophenoxy)benzene-1,3-dicarbonitrile)
99902-86-0 structure
Product Name:4-(3,4-dichlorophenoxy)benzene-1,3-dicarbonitrile
CAS No:99902-86-0
MF:C14H6Cl2N2O
MW:289.116240978241
CID:1992930
PubChem ID:514864
Update Time:2025-04-21
4-(3,4-dichlorophenoxy)benzene-1,3-dicarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-(3,4-dichlorophenoxy)benzene-1,3-dicarbonitrile
- 1,3-benzenedicarbonitrile, 4-(3,4-dichlorophenoxy)-
- 4-(3,4-DICHLOROPHENOXY)-1,3-BENZENEDICARBONITRILE
- 99902-86-0
- DTXSID20244328
- CHEMBL343110
-
- Inchi： 1S/C14H6Cl2N2O/c15-12-3-2-11(6-13(12)16)19-14-4-1-9(7-17)5-10(14)8-18/h1-6H
- InChI Key： GJLPRDINGRNTBU-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC(=C1)OC1C=CC(C#N)=CC=1C#N)Cl
Computed Properties
- Exact Mass: 287.986
- Monoisotopic Mass: 287.986
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 410
- 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: 4.1
- Topological Polar Surface Area: 56.8?2
Experimental Properties
- Density: 1.45
- Boiling Point: 413.4°C at 760 mmHg
- Flash Point: 203.8°C
- Refractive Index: 1.646
4-(3,4-dichlorophenoxy)benzene-1,3-dicarbonitrile Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
99902-86-0 (4-(3,4-dichlorophenoxy)benzene-1,3-dicarbonitrile) Related Products
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