| CAS Number | 1068162-79-7 |
| Catalog Number | AG007BQG(AGN-PC-0WNU39) |
| Chemical Name | 2-Chloro-4-(3-chloro-4-cyanophenyl)benzonitrile |
| IUPAC Name | 2-chloro-4-(3-chloro-4-cyanophenyl)benzonitrile |
| InChI | InChI=1S/C14H6Cl2N2/c15-13-5-9(1-3-11(13)7-17)10-2-4-12(8-18)14(16)6-10/h1-6H |
| InChI Key | TWDXKOQPECRHJO-UHFFFAOYSA-N |
| MDL Number | MFCD21609603 |
| Molecular Formula | C14H6Cl2N2 |
| Molecular Weight | 273.1168 |
| SMILES | N#Cc1ccc(cc1Cl)c1ccc(c(c1)Cl)C#N |
| Synonyms | 2-Chloro-4-(3-chloro-4-cyanophenyl)benzonitrile,
1068162-79-7,
ACMC-2098me,
CTK8A9131,
DTXSID30742663,
ANW-15444,
MFCD21609603,
ZINC85471764,
CJ-22333,
TC-104189,
B-9181,
3,3'-Dichloro[1,1'-biphenyl]-4,4'-dicarbonitrile,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.116g/mol |
| Monoisotopic Mass | 271.991g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number