HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Phenylimidazoline
PIN · 2-PHENYLIMIDAZOLINE · LC8 · DLC8 · LC8a · MH-31 · DNCL1 · hdlc1
Identifiers & Physical Properties
| CAS No. | 936-49-2 |
|---|---|
| Molecular formula | C9H10N2 |
| Average molar mass | 146.19 g/mol |
| Monoisotopic mass | 146.08439833 g/mol |
| SMILES | c1ccc(C2=NCCN2)cc1 |
| InChIKey | BKCCAYLNRIRKDJ-UHFFFAOYSA-N |
| PubChem CID | 13639 |
| ChEMBL | CHEMBL274548 |
| EC No. | 213-313-4 |
| DTXSID | DTXSID5061322 |
Chemical & Physical Properties
| XLogP | 0.9 |
|---|---|
| Topological polar surface area | 24.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 157 |
| Melting point | 99-104 °C |
| Boiling point | 298°C |
| Density | 1,15 g/cm3 |
| Vapor pressure | 0.001Pa at 20℃ |
| Refractive index | 1.5600 (estimate) |
| Flash point | 201 °C |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (acidity coefficient) | 9.95±0.40(Predicted) |
| Physical state | Powder |
| Color | Pale brown |
| Odor | Faint odor |
| Solubility | SOLUBLE |
| λmax | 325nm(lit.) |
| BRN | 119250 |
| InChI | 1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11) |
| InChIKey | BKCCAYLNRIRKDJ-UHFFFAOYSA-N |
| SMILES | C1CN=C(N1)c2ccccc2 |
| LogP (partition coefficient) | 2.45 at 25℃ |
| CAS DataBase Reference | 936-49-2(CAS DataBase Reference) |
| NCI Dictionary of Cancer Terms | PIN |
| EPA Substance Registry System | 1H-Imidazole, 4,5-dihydro-2-phenyl- (936-49-2) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS07,GHS09 |
| Signal word | Danger |
| GHS hazard statements | H302-H315-H318-H410 |
| GHS precautionary statements | P264-P273-P280-P301+P312-P302+P352-P305+P351+P338 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Hazard symbols | C,Xi,N,Xn |
| Risk statements (R) | 22-34-36/37/38-50/53-41-38 |
| Safety statements (S) | 26-36/37/39-45-37/39-61-60-39 |
| UN transport number | UN 3263 8/PG 2 |
| Water hazard class (WGK) | 3 |
| RTECS number | NJ4395500 |
| TSCA inventory status | TSCA listed |
| Customs code | 29332900 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 OralAquatic Chronic 1Eye Dam. 1Skin Irrit. 2 |
| REACH registrations | Active |
Safety & Regulations
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
|---|---|
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | NJ4395500 |
| UN transport number | UN 3263 8/PG 2 |
| Customs code | 29332900 |
| Risk statements (R) | 22-34-36/37/38-50/53-41-38 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07,GHS09 |
| Hazard symbols | C,Xi,N,Xn |
| Safety statements (S) | 26-36/37/39-45-37/39-61-60-39 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H315-H318-H410 |
| REACH registrations | Active |
| Hazard class | Acute Tox. 4 OralAquatic Chronic 1Eye Dam. 1Skin Irrit. 2 |
| GHS precautionary statements | P264-P273-P280-P301+P312-P302+P352-P305+P351+P338 |
Applications & Uses
Description
2-Phenyl-2-imidazoline is white crystal and can be used as epoxy resin powder , pharmaceutical raw material or used in organic synthesis.
Uses
Catalyst for: N-arylation of indolesEpoxy-carbonyl reactions