HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4,5-Trifluorobenzyl Chloride
CAS:243139-71-1 · Sitagliptin Impurity 70 · 2,4,5-TRIFLUOROBENZYL CHORIDE · 2,4,5-TRIFLUOROBENZYL CHLORIDE · alpha-Chloro-2,4,5-trifluorotoluene · Benzene, 1-(chloromethyl)-2,4,5-trifluoro- · Benzene, 1-(chloromethyl)-2,4,5-trifluoro- (9CI) · 1-(Chloromethyl)-2,4,5-trifluorobenzene, alpha-Chloro-2,4,5-trifluorotoluene
Identifiers & Physical Properties
| CAS No. | 243139-71-1 |
|---|---|
| Molecular formula | C7H4ClF3 |
| Average molar mass | 180.55 g/mol |
| Monoisotopic mass | 179.9953623 g/mol |
| SMILES | Fc1cc(F)c(CCl)cc1F |
| InChIKey | JMXPOOVDUVHJRO-UHFFFAOYSA-N |
| PubChem CID | 2777063 |
| EC No. | 671-774-0 |
| DTXSID | DTXSID00380359 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 131 |
| Boiling point | 175℃ |
| Density | 1,689 g/cm3 |
| Refractive index | 1.5050 |
| Flash point | 65°C |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| Physical state | clear liquid |
| Color | Colorless to Almost colorless |
| InChI | InChI=1S/C7H4ClF3/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2 |
| InChIKey | JMXPOOVDUVHJRO-UHFFFAOYSA-N |
| SMILES | C1(CCl)=CC(F)=C(F)C=C1F |
| CAS DataBase Reference | 243139-71-1(CAS DataBase Reference) |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H227-H290-H314-H318 |
| GHS precautionary statements | P210e-P260h-P303+P361+P353-P305+P351+P338-P501a-P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P235-P405-P406-P501 |
| Hazard symbols | C,Xn |
| Risk statements (R) | 34-36/37/38-20/21/22 |
| Safety statements (S) | 26-36/37/39-36 |
| UN transport number | 3265 |
| Hazard Note | Corrosive |
| Hazard class | 8 |
| Packing group | II |
| Customs code | 2903998090 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | DangerH290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Met. Corr. 1 (16.7%) |
| UN transport number | 3265 |
| Customs code | 2903998090 |
| Risk statements (R) | 34-36/37/38-20/21/22 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C,Xn |
| hazard_note | Corrosive |
| Safety statements (S) | 26-36/37/39-36 |
| Hazard class | 8 |
| Packing group | II |
| GHS hazard statements | H227-H290-H314-H318 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P210e-P260h-P303+P361+P353-P305+P351+P338-P501a-P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P235-P405-P406-P501 |
Applications & Uses
Uses
2,4,5-Trifluorobenzyl chloride is an oral dipeptidyl peptidase-4 (DPP-4) inhibitor that decreases in glucagon to improve control of blood sugar used for the treatment of type 1 diabetes, 79% of the dose excreted in the urine.
Uses
2,4,5-Trifluorobenzyl chloride is a useful research chemical.