HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,4,5-Trifluorobenzyl bromide
-bromo-3,4,5-trifluorotoluene · 3,4,5-Trifluorobenzyl bromide · 3,4,5-Trifluorobenzoyl bromide · à-bromo-3,4,5-trifluorotoluene · A-BROMO-3,4,5-TRIFLUOROTOLUENE · 3,4,5-Trifluorobenzylbromide98% · 3,4,5-Trifluorobenzyl bromide 98% · ALPHA-BROMO-3,4,5-TRIFLUOROTOLUENE
Identifiers & Physical Properties
| CAS No. | 220141-72-0 |
|---|---|
| Molecular formula | C7H4BrF3 |
| Average molar mass | 225.01 g/mol |
| Monoisotopic mass | 223.94485 g/mol |
| SMILES | Fc1cc(CBr)cc(F)c1F |
| InChIKey | MPEKZIYOLQCWLL-UHFFFAOYSA-N |
| PubChem CID | 2777062 |
| EC No. | 625-477-8 |
| DTXSID | DTXSID40380358 |
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 | 119 |
| Boiling point | 44-46°C 1mm |
| Density | 1.689 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.5050(lit.) |
| Flash point | 150 °F |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| Physical state | clear liquid |
| Color | Light yellow to Brown |
| Sensitivity | Lachrymatory |
| BRN | 8680985 |
| InChI | InChI=1S/C7H4BrF3/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2H,3H2 |
| InChIKey | MPEKZIYOLQCWLL-UHFFFAOYSA-N |
| SMILES | C1(F)=CC(CBr)=CC(F)=C1F |
| CAS DataBase Reference | 220141-72-0(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard symbols | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 26-27-36/37/39-45 |
| UN transport number | UN 1760 8/PG 3 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Corrosive/Lachrymatory |
| TSCA inventory status | T |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Packing group | II |
| Customs code | 29039990 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| 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 6 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | T |
| UN transport number | UN 1760 8/PG 3 |
| 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 | 8Eye Dam. 1Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | II |
| GHS hazard statements | H314 |
| Limited quantities |
Applications & Uses
Uses
3,4,5-Trifluorobenzyl bromide is an organic intermediate.