Cas no 56403-44-2 (1,4-Benzenediacetonitrile, 2,5-dibromo-)
56403-44-2 structure
Product Name:1,4-Benzenediacetonitrile, 2,5-dibromo-
CAS No:56403-44-2
MF:C10H6Br2N2
MW:313.976040363312
CID:348978
PubChem ID:12236194
Update Time:2025-04-19
1,4-Benzenediacetonitrile, 2,5-dibromo- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediacetonitrile, 2,5-dibromo-
- 1,4-CYANOMETHYL-2,5-DIBROMOBENZENE
- 2-[2,5-dibromo-4-(cyanomethyl)phenyl]acetonitrile
- 56403-44-2
- SCHEMBL13405938
- CKLWZVRFWLJKBA-UHFFFAOYSA-N
- 2,2'-(2,5-dibromobenzene-1,4-diyl)diacetonitrile
- DTXSID00481759
-
- Inchi： 1S/C10H6Br2N2/c11-9-6-8(2-4-14)10(12)5-7(9)1-3-13/h5-6H,1-2H2
- InChI Key： CKLWZVRFWLJKBA-UHFFFAOYSA-N
- SMILES： BrC1C=C(CC#N)C(=CC=1CC#N)Br
Computed Properties
- Exact Mass: 311.88978
- Monoisotopic Mass: 311.88977g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 255
- 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: 2.6
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- PSA: 47.58
1,4-Benzenediacetonitrile, 2,5-dibromo- Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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