Cas no 40915-55-7 (2-[(2-chlorophenyl)methyl]propanedinitrile)
![2-[(2-chlorophenyl)methyl]propanedinitrile structure](https://ossimg.kuujia.com/scimg/41000/40915-55-7x500.png)
40915-55-7 structure
Product Name:2-[(2-chlorophenyl)methyl]propanedinitrile
CAS No:40915-55-7
MF:C10H7ClN2
MW:190.628980875015
CID:926363
PubChem ID:38713
Update Time:2025-04-19
2-[(2-chlorophenyl)methyl]propanedinitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-[(2-chlorophenyl)methyl]propanedinitrile
- (2-chlorobenzyl)malononitrile
- 2-chlorobenzylmalononitrile
- AC1L20CN
- CTK4I3992
- MALONONITRILE, o-CHLOROBENZYL-
- Nitrylu o-chlorobenzylomalonowego
- Nitrylu o-chlorobenzylomalonowego [Polish]
- o-Chlorobenzylmalononitrile
- o-Chlorobenzylomalonylonitryl
- o-Chlorobenzylomalonylonitryl [Polish]
- orthochlorobenzyl-malononitrile
- Malonodinitrile, 2-chlorobenzyl
- 2-chlorobenzyl malononitrile
- AKOS006279864
- Propanedinitrile, 2-(2-chlorobenzyl)-
- SCHEMBL1797853
- 40915-55-7
- DTXSID4075324
- Propanedinitrile, 2-(2-chlorophenylmethyl)-
- YETVIAIVJSRDFR-UHFFFAOYSA-N
- Propanedinitrile, ((2-chlorophenyl)methyl)-
- 2-(2-Chlorobenzyl)malononitrile #
-
- Inchi： 1S/C10H7ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-4,8H,5H2
- InChI Key： YETVIAIVJSRDFR-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1CC(C#N)C#N
Computed Properties
- Exact Mass: 190.0297759g/mol
- Monoisotopic Mass: 190.0297759g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 241
- 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: 2.5
- Topological Polar Surface Area: 47.6?2
2-[(2-chlorophenyl)methyl]propanedinitrile Related Literature
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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