HuagongsheHuagongshe Chemistry Print Report · For research reference only
p-Trifluoromethylbenzyl chloride
1-(CHLOROMETHYL)-4-(TRIFLUOROMETHYL)BENZENE · TIMTEC-BB SBB006696 · 4-Trifluoromethylben · 4-Trifluormethylbenzyl chloride · 4-(Chloromethyl)benzotrifluoride · α'-chloro-α,α,α-trifluoro-p-xylene · à'-chloro-à,à,à-trifluoro-p-xylene · 4-(TRIFLUOROMETHYL)BENZYL CHLORIDE
Identifiers & Physical Properties
| CAS No. | 939-99-1 |
|---|---|
| Molecular formula | C8H6ClF3 |
| Average molar mass | 194.58 g/mol |
| Monoisotopic mass | 194.01101253 g/mol |
| SMILES | FC(F)(F)c1ccc(CCl)cc1 |
| InChIKey | MCHDHQVROPEJJT-UHFFFAOYSA-N |
| PubChem CID | 123096 |
| EC No. | 627-519-0 |
| DTXSID | DTXSID20239870 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 136 |
| Melting point | 19 °C |
| Boiling point | 68 °C12 mm Hg(lit.) |
| Density | 1.315 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.464(lit.) |
| Flash point | 165 °F |
| Storage conditions | Refrigerator |
| Physical state | clear liquid |
| Color | Colorless to Almost colorless |
| Sensitivity | Lachrymatory |
| BRN | 511085 |
| InChI | 1S/C8H6ClF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2 |
| InChIKey | MCHDHQVROPEJJT-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1ccc(CCl)cc1 |
| CAS DataBase Reference | 939-99-1(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H314-H335 |
| GHS precautionary statements | P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard symbols | C |
| Risk statements (R) | 34-36/37 |
| Safety statements (S) | 23-26-27-36/37/39-45 |
| UN transport number | UN 3265 8/PG 2 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Corrosive/Lachrymatory |
| Hazard class | 8Skin Corr. 1BSTOT SE 3 |
| Packing group | III |
| 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, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 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 |
| UN transport number | UN 3265 8/PG 2 |
| Customs code | 29039990 |
| Risk statements (R) | 34-36/37 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | C |
| hazard_note | Corrosive/Lachrymatory |
| Safety statements (S) | 23-26-27-36/37/39-45 |
| Hazard class | 8Skin Corr. 1BSTOT SE 3 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H314-H335 |
| 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 | P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 |
Applications & Uses
Uses
4-(Trifluoromethyl)benzyl chloride may be used in the synthesis of novel series of dithiocarbamates, via reaction with sodium salts of N,N-disubstituted dithiocarbamic acids.
General Description
Electrochemical reduction of 4-(trifluoromethyl)benzyl chloride catalyzed by Co(salen) (H2salen, N,N′-bis(salicylidene)-ethane-1,2-diamine) in acetonitrile is reported.