HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(Trifluoromethyl)benzoyl chloride
4-(TRIFLUOROMETHYL)BENZOYL CHLORIDE · SKL744 · PTF-BOC · SKL1276 · RSYY（Avanafil)-60 · TIMTEC-BB SBB003467 · α,α,α-Trifluor-p-toluoylchlorid · 4-(TRIFLUOROMETHYL)BENZOYL CHL
Identifiers & Physical Properties
| CAS No. | 329-15-7 |
|---|---|
| Molecular formula | C8H4ClF3O |
| Average molar mass | 208.56 g/mol |
| Monoisotopic mass | 207.99027709 g/mol |
| SMILES | O=C(Cl)c1ccc(C(F)(F)F)cc1 |
| InChIKey | OXZYBOLWRXENKT-UHFFFAOYSA-N |
| PubChem CID | 67607 |
| EC No. | 206-342-9 |
| DTXSID | DTXSID6059817 |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 194 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Melting point | -3°C |
| Boiling point | 188-190 °C(lit.) |
| Density | 1.404 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.476(lit.) |
| Flash point | 173 °F |
| Storage conditions | Inert atmosphere,2-8°C |
| Physical state | Liquid |
| Specific gravity | 1.404 |
| Color | Clear colorless to yellow |
| Solubility | decomposes |
| Sensitivity | Lachrymatory |
| BRN | 391282 |
| InChI | 1S/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H |
| InChIKey | OXZYBOLWRXENKT-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1ccc(cc1)C(Cl)=O |
| CAS DataBase Reference | 329-15-7(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-(Trifluoromethyl)benzoyl chloride(329-15-7) |
| EPA Substance Registry System | Benzoyl chloride, 4-(trifluoromethyl)- (329-15-7) |
| 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) | 34-29 |
| Safety statements (S) | 26-36/37/39-45-8 |
| UN transport number | UN 3265 8/PG 2 |
| Water hazard class (WGK) | 3 |
| F | 10-19-21 |
| Hazard Note | Corrosive/Lachrymatory |
| TSCA inventory status | TSCA listed |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Packing group | II |
| Customs code | 29163900 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Limited quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
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 52 reports by companies from 7 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 10-19-21 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | UN 3265 8/PG 2 |
| Customs code | 29163900 |
| Risk statements (R) | 34-29 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C |
| hazard_note | Corrosive/Lachrymatory |
| Safety statements (S) | 26-36/37/39-45-8 |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | II |
| GHS hazard statements | H314 |
| Limited quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| GHS precautionary statements | P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405 |
Applications & Uses
Uses
4-(Trifluoromethyl)benzoyl chloride is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.
General Description
4-(Trifluoromethyl)benzoyl chloride undergoes microwave-promoted Suzuki-type coupling reaction with phenylboronic acid to yield 4-(trifluoromethyl)benzophenone.