HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Chloro-4-fluorobenzyl alcohol
RARECHEM AL BD 0222 · (3-Chloro-4-fluorophenyl) · 3-Chloro-4-fluorobenzylaalcohol · 3-CHLORO-4-FLUOROBENZYL ALCOHOL · 3-Chloro-4-fluorobenzenemethanol · 3-chloro-4-fluorobenzylalcohol97% · (3-CHLORO-4-FLUORO-PHENYL)-METHANOL · 3-Chloro-4-fluorobenzyl alcohol 97%
Identifiers & Physical Properties
| CAS No. | 161446-90-8 |
|---|---|
| Molecular formula | C7H6ClFO |
| Average molar mass | 160.57 g/mol |
| Monoisotopic mass | 160.00912071 g/mol |
| SMILES | OCc1ccc(F)c(Cl)c1 |
| InChIKey | KRQHBUXUXOPOON-UHFFFAOYSA-N |
| PubChem CID | 2773607 |
| EC No. | 642-649-8 |
| DTXSID | DTXSID50378589 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 110 |
| Boiling point | 243℃ |
| Density | 1.344 |
| Refractive index | 1.5355 |
| Flash point | 100℃ |
| Storage conditions | Sealed in dry,Room Temperature |
| pKa (acidity coefficient) | 13+-.0.10(Predicted) |
| Appearance | Colorless to light yellow Liquid |
| Solubility | Slightly soluble in water. |
| CAS DataBase Reference | 161446-90-8(CAS DataBase Reference) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P280g-P305+P351+P338 |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37/39 |
| Hazard class | IRRITANT |
| Customs code | 2906290090 |
Safety & Regulations
| GHS classification | WarningH315 (100%): 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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Customs code | 2906290090 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36/37/39 |
| Hazard class | IRRITANT |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P280g-P305+P351+P338 |
Applications & Uses
Uses
3-Chloro-4-fluorobenzyl alcohol is used as a pharmaceutical intermediate.