HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzenesulfonamide, N-(phenylmethylene)-
N-Benzylidenebenzenesulfonamide · N-BENZYLIDINE BENZENESULFONAMIDE · N-(Phenylsulfonyl)benzylideneamine · N-Benzylidenebenzenesulfonamide >N-(Phenylsulfonyl)phenylmethaneimine · N-BENZYLIDENEBENZENESULFONAMIDE 97% · N-(PhenylMethylene)benzenesulfonaMide · Benzenesulfonamide, N-(phenylmethylene)- · N-BENZYLIDENEBENZENESULFONAMIDE ISO 9001：2015 REACH
Identifiers & Physical Properties
| CAS No. | 13909-34-7 |
|---|---|
| Molecular formula | C13H11NO2S |
| Average molar mass | 245.3 g/mol |
| Monoisotopic mass | 245.05104977 g/mol |
| SMILES | O=S(=O)(/N=C/c1ccccc1)c1ccccc1 |
| InChIKey | MPNRJEPBAYEQBY-SDNWHVSQSA-N |
| PubChem CID | 9602006 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 54.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 344 |
| Melting point | 78-81 °C(lit.) |
| Boiling point | 406.3±28.0 °C(Predicted) |
| Density | 1.16±0.1 g/cm3(Predicted) |
| Storage conditions | room temp |
| Solubility | Chloroform, DCM |
| Physical state | Solid |
| pKa (acidity coefficient) | -4.08±0.50(Predicted) |
| Color | White |
| BRN | 1964884 |
| Major applications | diagnostic assay manufacturinghematologyhistology |
| InChI | 1S/C13H11NO2S/c15-17(16,13-9-5-2-6-10-13)14-11-12-7-3-1-4-8-12/h1-11H/b14-11+ |
| InChIKey | MPNRJEPBAYEQBY-SDNWHVSQSA-N |
| SMILES | O=S(=O)(\N=C\c1ccccc1)c2ccccc2 |
| 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) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| F | 8-10-21 |
| Customs code | 2935.90.9500 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| Regulatory information | Benzenesulfonamide, N-(phenylmethylene)-: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| F | 8-10-21 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 2935.90.9500 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
N-(Phenylmethylene)benzenesulfonamide is an intermediate in the synthesis of Davis Oxaziridine (D194900), an oxidizing agent used in the preparation of wide variety of pharmaceutical compounds. Dyes and metabolites.