HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzophenone imine
DIPHENYLMETHANIMINE · BENZOPHENONIMINE · BENZHYDRYLIDENEAMINE · Benzenemethanimine, α-phenyl- · 1,1-DiphenylMethaniMine · Benzhydrylimine · Benzophone imine · 90-97%

Identifiers & Physical Properties
| CAS No. | 1013-88-3 |
|---|---|
| Molecular formula | C13H11N |
| Average molar mass | 181.23 g/mol |
| Monoisotopic mass | 181.08914935 g/mol |
| SMILES | N=C(c1ccccc1)c1ccccc1 |
| InChIKey | SXZIXHOMFPUIRK-UHFFFAOYSA-N |
| PubChem CID | 136809 |
| EC No. | 440-870-2 |
| DTXSID | DTXSID10870832 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 23.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 165 |
| SpringerMaterials Properties | Boiling point |
| Melting point | -30 °C |
| Boiling point | 151-153 °C10 mm Hg(lit.) |
| Density | 1.08 g/mL at 25 °C(lit.) |
| Vapor pressure | 0.082Pa at 20℃ |
| Refractive index | n20/D 1.618(lit.) |
| Flash point | 145 °C |
| Storage conditions | Inert atmosphere,Room Temperature |
| Solubility | DMSO (Slightly), Ethyl Acetate (Slightly)0.3 g/L (25 ºC) |
| Physical state | Liquid |
| pKa (acidity coefficient) | pK1:6.82 (25°C) |
| Color | Clear colorless to light yellow-brownish |
| BRN | 1100371 |
| Major applications | diagnostic assay manufacturinghematologyhistology |
| InChI | 1S/C13H11N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H |
| InChIKey | SXZIXHOMFPUIRK-UHFFFAOYSA-N |
| SMILES | N=C(c1ccccc1)c2ccccc2 |
| CAS DataBase Reference | 1013-88-3(CAS DataBase Reference) |
| FDA UNII | EJJ21NA7VI |
| NIST Chemistry Reference | Benzenemethanimine, «alpha»-phenyl-(1013-88-3) |
| UNSPSC Code | 12171500 |
| NACRES | NA.47 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi,N,Xn |
| Risk statements (R) | 36/37/38-51/53-38-22 |
| Safety statements (S) | 26-36-61-37 |
| UN transport number | UN3082 |
| Water hazard class (WGK) | 3 |
| Customs code | 29252900 |
| Storage class | 10 - Combustible liquids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 110 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Status: Active Update: 04-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/6180 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| UN transport number | UN3082 |
| Customs code | 29252900 |
| Risk statements (R) | 36/37/38-51/53-38-22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,N,Xn |
| Safety statements (S) | 26-36-61-37 |
| Storage class | 10 - Combustible liquids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| REACH registrations | Active |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
Useful in the preparation of nitrile ylide dimers.Benzophenone imine as ammonia surrogate. As intermediate material for synthesis of organic chemicals. Catalytic enantioselective alkylation of the benzophenone imine of glycine t-butyl ester using phosphazene (Schwesinger) bases and chiral quaternary ammonium salts yields either enantiomer of amino acid derivatives in excellent yield.
Uses
Benzophenone imine is useful in the preparation of nitrile ylide dimers.