HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,1-Difluoro-4-(iodomethyl)cyclohexane
1,1-Difluoro-4-(iodomethyl)cyclohexane · Cyclohexane, 1,1-difluoro-4-(iodomethyl)-
Identifiers & Physical Properties
| CAS No. | 476415-02-8 |
|---|---|
| Molecular formula | C7H11F2I |
| Average molar mass | 260.06 g/mol |
| SMILES | FC1(F)CCC(CI)CC1 |
| InChIKey | BZUZKVFPWWKTLD-UHFFFAOYSA-N |
| PubChem CID | 67236985 |
| EC No. | 822-236-0 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 104 |
| GHS pictogram | GHS07,GHS05 |
| Signal word | Danger |
| GHS hazard statements | H315-H227-H318-H335 |
| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P280-P305+P351+P338-P310 |
Safety & Regulations
| GHS classification | DangerH227 (100%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (100%) |
| Signal word | Danger |
| GHS pictogram | GHS07,GHS05 |
| GHS hazard statements | H315-H227-H318-H335 |
| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P280-P305+P351+P338-P310 |
Applications & Uses
Uses
1,1-Difluoro-4-(iodomethyl)cyclohexane is derived from 4,4-Difluorocyclohexanecarboxylic Acid Ethyl Ester (D445698), which is used as a reactant in the preparation of antiretroviral drug Maraviroc (M193000), which is CCR-5 receptor antagonist used for treatment of HIV.