HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(Bromomethyl)-2,3,4-trifluorobenzene
2,3,4-TRIFLUOROBENZYL BROMIDE · à-bromo-2,3,4-trifluorotoluene · 2,3,4-Trifluorobenzylbromide97% · 2,3,4-Trifluorobenzyl bromide 97% · ALPHA-BROMO-2,3,4-TRIFLUOROTOLUENE · 1-(bromomethyl)-2,3,4-trifluorobenzene · 6-(BROMOMETHYL)-1,2,3-TRIFLUOROBENZENE · Benzene, 1-(bromomethyl)-2,3,4-trifluoro-
Identifiers & Physical Properties
| CAS No. | 157911-55-2 |
|---|---|
| Molecular formula | C7H4BrF3 |
| Average molar mass | 225.01 g/mol |
| Monoisotopic mass | 223.94484689 g/mol |
| SMILES | Fc1ccc(CBr)c(F)c1F |
| InChIKey | DGSXDQVPGXFOAN-UHFFFAOYSA-N |
| PubChem CID | 2777050 |
| EC No. | 624-279-9 |
| DTXSID | DTXSID60380350 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| 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 | 191.4±35.0 °C(Predicted) |
| Density | 1.710 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.5070(lit.) |
| Flash point | 195 °F |
| Storage conditions | Inert atmosphere,2-8°C |
| Physical state | Liquid |
| Color | Clear colorless to pale yellow |
| Sensitivity | Lachrymatory |
| BRN | 8762822 |
| InChI | InChI=1S/C7H4BrF3/c8-3-4-1-2-5(9)7(11)6(4)10/h1-2H,3H2 |
| InChIKey | DGSXDQVPGXFOAN-UHFFFAOYSA-N |
| SMILES | C1(CBr)=CC=C(F)C(F)=C1F |
| CAS DataBase Reference | 157911-55-2(CAS DataBase Reference) |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314-H227-H318 |
| GHS precautionary statements | P210e-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310 |
| Hazard symbols | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 26-27-36/37/39-45 |
| UN transport number | UN 3265 8/PG 2 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Corrosive/Lachrymatory |
| TSCA inventory status | T |
| Hazard class | 8 |
| Packing group | II |
| Customs code | 29039990 |
| 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 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | T |
| UN transport number | UN 3265 8/PG 2 |
| Customs code | 29039990 |
| Risk statements (R) | 34 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C |
| hazard_note | Corrosive/Lachrymatory |
| Safety statements (S) | 26-27-36/37/39-45 |
| Hazard class | 8 |
| Packing group | II |
| GHS hazard statements | H314-H227-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-P405-P501a-P280-P305+P351+P338-P310 |
Applications & Uses
Uses
2,3,4-Trifluorobenzyl bromide may be used to synthesize phase-transfer catalysts (PTCs).