| CAS Number | 36715-95-4 |
| Catalog Number | AG019F0Y(AGN-PC-00275T) |
| Chemical Name | 3,4-dimethylbenzene-1,2-dicarbonitrile |
| IUPAC Name | 3,4-dimethylbenzene-1,2-dicarbonitrile |
| InChI | InChI=1S/C10H8N2/c1-7-3-4-9(5-11)10(6-12)8(7)2/h3-4H,1-2H3 |
| InChI Key | CIULPBFCSZUVLV-UHFFFAOYSA-N |
| MDL Number | MFCD28362872 |
| Molecular Formula | C10H8N2 |
| Molecular Weight | 156.1839 |
| SMILES | Cc1ccc(C#N)c(C#N)c1C |
| Synonyms | 3,4-dimethylphthalonitrile,
36715-95-4,
dimethyl phthalonitrile,
o-xylene dicyanide,
SCHEMBL4743281,
MFCD28362872,
CS-0059768,
3,6-dimethylphthalonitrile,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.188g/mol |
| Monoisotopic Mass | 156.069g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number