4-Methylbenzylisocyanide
1-(isocyanomethyl)-4-methylbenzene
Also Known As: 1-(isocyanomethyl)-4-methylbenzene|4-Methylbenzylisocyanide|4-methylbenzyl isocyanide|TOS-BB-0801|HANSA ISN-0047|1-(isocyanomethyl)-4-methyl-benzene|Benzene, 1-(isocyanomethyl)-4-methyl-
CAS: 39495-97-1
| Molecular Formula | C9H9N |
|---|---|
| Molecular Weight | 131.0735 g/mol |
| LogP | 2.41431 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.0735 |
| Monoisotopic Mass | 131.0735 |
| Heavy Atoms | 10 |
| Complexity | 240.42593 |
Chemical Identifiers
| CAS Number | 39495-97-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C[N+]#[C-] |
Product Overview
4-Methylbenzylisocyanide (CAS 39495-97-1), with molecular formula C9H9N and molecular weight 131.0735 g/mol. IUPAC: 1-(isocyanomethyl)-4-methylbenzene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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