(2-Isocyanoethyl)benzene
2-isocyanoethylbenzene
Also Known As: (2-Isocyanoethyl)benzene|2-isocyanoethylbenzene|Phenylethylisocyanide|benzene|phenylethyl isocyanide|(2-isocyanoethyl)-benzene|Phenethyl isocyanide|2-Phenylethyl isocyanide|Benzene,(2-isocyanoethyl)-|HANSA ISN-0141|TOS-BB-0764|1-Cbz-2-methyl-piperidin-4-one|J1.097.196I|I14-91606|633-127-0
CAS: 59795-89-0
| Molecular Formula | C9H9N |
|---|---|
| Molecular Weight | 131.0735 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 131.0735 |
| Monoisotopic Mass | 131.0735 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 59795-89-0 |
|---|---|
| SMILES | [C-]#[N+]CCC1=CC=CC=C1 |
| InChIKey | XIJXCJCWHKUKAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (7 patents)
Organic Building Blocks (16 patents)
Organometallic Reagents (14 patents)
Pharmaceutical Intermediates (4 patents)
Polymer Intermediates (1 patents)
Specialty Chemicals (3 patents)
Product Overview
(2-Isocyanoethyl)benzene (CAS 59795-89-0), with molecular formula C9H9N and molecular weight 131.0735 g/mol. IUPAC: 2-isocyanoethylbenzene.
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.
View MSDS →
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