HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,3-Difluoroazetidine hydrochloride
3,3-difluoroazetidine · 3,3-Difluoroazetidine, HC · 3,3-DIFLUOROAZETIDINE HCL · 3,3-Difluoroazetidine hyd... · 3,3-Difluorazetidin hydrochlorid · 3,3-Difluoroaztidine hydrochloride · 3,3-DIFLUOROAZETIDINE HYDROCHLORIDE · 3,3-Difluorazetidinhydrochlorid(1:1)
Identifiers & Physical Properties
| CAS No. | 288315-03-7 |
|---|---|
| Molecular formula | C3H6ClF2N |
| Average molar mass | 129.53 g/mol |
| Monoisotopic mass | 129.01568331 g/mol |
| SMILES | Cl.FC1(F)CNC1 |
| InChIKey | CDBAEFXTCRKJPZ-UHFFFAOYSA-N |
| PubChem CID | 2758247 |
| EC No. | 621-190-7 |
| DTXSID | DTXSID00374238 |
Chemical & Physical Properties
| Topological polar surface area | 12 |
|---|---|
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 55.8 |
| Melting point | 138-143 °C |
| Storage conditions | 2-8°C |
| Solubility | DMSO (Slightly), Water (Slightly) |
| Physical state | Solid |
| Color | Off-White to Light Yellow |
| Sensitivity | Hygroscopic |
| InChI | InChI=1S/C3H5F2N.ClH/c4-3(5)1-6-2-3/h6H,1-2H21H |
| InChIKey | CDBAEFXTCRKJPZ-UHFFFAOYSA-N |
| SMILES | FC1(CNC1)F.Cl |
| CAS DataBase Reference | 288315-03-7(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| 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 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 29339900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (98%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29339900 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
3,3-Difluoroazetidine Hydrochloride is used in preparation of Dihydropyrimidine compounds as antiviral agents.