HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzenamine, N-sulfinyl-
N-SULFINYLANILINE · Thionylaniline · N-Sulfinylbenzenamine · Benzenamine, N-sulfinyl- · NSC 40228 · N-Thionylaniline · Phenylthionylamine · N-sulphinylaniline
Identifiers & Physical Properties
| CAS No. | 1122-83-4 |
|---|---|
| Molecular formula | C6H5NOS |
| Average molar mass | 139.18 g/mol |
| Monoisotopic mass | 139.00918478 g/mol |
| SMILES | O=S=Nc1ccccc1 |
| InChIKey | FIOJWGRGPONADF-UHFFFAOYSA-N |
| PubChem CID | 70739 |
| EC No. | 214-362-4 |
| DTXSID | DTXSID0061533 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 30.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 125 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Boiling point | 200 °C (lit.) 83 °C/15 mmHg (lit.) |
| Density | 1.236 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.627(lit.) |
| Flash point | 184 °F |
| Storage conditions | 2-8°C, stored under nitrogen |
| Physical state | Liquid |
| Color | very strongly colored |
| Solubility | Partly miscible in water. |
| BRN | 507682 |
| InChI | InChI=1S/C6H5NOS/c8-9-7-6-4-2-1-3-5-6/h1-5H |
| InChIKey | FIOJWGRGPONADF-UHFFFAOYSA-N |
| SMILES | C1(N=S=O)=CC=CC=C1 |
| CAS DataBase Reference | 1122-83-4(CAS DataBase Reference) |
| FDA UNII | SV7R5HC44R |
| EPA Substance Registry System | Benzenamine, N-sulfinyl- (1122-83-4) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07,GHS08 |
| Signal word | Danger |
| GHS hazard statements | H315-H319-H334-H335 |
| GHS precautionary statements | P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xn |
| Risk statements (R) | 36/37/38-42/43 |
| Safety statements (S) | 26-36-45-23 |
| Water hazard class (WGK) | 3 |
| F | 1 |
| TSCA inventory status | TSCA listed |
| Customs code | 29299090 |
| Storage class | 10 - Combustible liquids |
| Hazard class | Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 1 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29299090 |
| Risk statements (R) | 36/37/38-42/43 |
| Signal word | Danger |
| GHS pictogram | GHS07,GHS08 |
| Hazard symbols | Xn |
| Safety statements (S) | 26-36-45-23 |
| Storage class | 10 - Combustible liquids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H334-H335 |
| Hazard class | Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P302+P352-P305+P351+P338 |
Applications & Uses
Uses
Versatile synthetic intermediate.
Uses
It is a versatile synthetic intermediate and an active pharmaceutical intermediate.