HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,2,4,5-Tetrafluorobenzene
1,2,4,5-TetrafL · p-Tetrafluorobenzene · 1,2,4,5-Tetrafluorbenzol · 1,2,4,5-Tetrafluorobenzyl · 1,2,4,5-TETRAFLUOROBENZENE · 2,3,5,6-Tetrafluorobenzene · benzene,1,2,4,5-tetrafluoro- · 1,2,4,5-Tetrafluorobenzene,98%
Identifiers & Physical Properties
| CAS No. | 327-54-8 |
|---|---|
| Molecular formula | C6H2F4 |
| Average molar mass | 150.07 g/mol |
| Monoisotopic mass | 150.00926271 g/mol |
| SMILES | Fc1cc(F)c(F)cc1F |
| InChIKey | SDXUIOOHCIQXRP-UHFFFAOYSA-N |
| PubChem CID | 9474 |
| EC No. | 206-319-3 |
| DTXSID | DTXSID90186367 |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 0 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 90 |
| Kovats Retention Index | 604 |
| Melting point | 4 °C (lit.) |
| Boiling point | 90 °C (lit.) |
| Density | 1.344 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.407(lit.) |
| Flash point | 61 °F |
| Storage conditions | Sealed in dry,2-8°C |
| Physical state | clear liquid |
| Color | Colorless to Almost colorless |
| Specific gravity | 1.344 |
| Solubility | Not miscible or difficult to mix in water. |
| BRN | 1909052 |
| Henry's law constant | 5.6×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| InChI | InChI=1S/C6H2F4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H |
| InChIKey | SDXUIOOHCIQXRP-UHFFFAOYSA-N |
| SMILES | C1(F)=CC(F)=C(F)C=C1F |
| CAS DataBase Reference | 327-54-8(CAS DataBase Reference) |
| FDA UNII | AB3CL8US2H |
| NIST Chemistry Reference | Benzene, 1,2,4,5-tetrafluoro-(327-54-8) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H225-H315-H319-H335 |
| GHS precautionary statements | P210-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | F,Xi |
| Risk statements (R) | 11-36/37/38 |
| Safety statements (S) | 16-26-36/37/39-37/39-33-7/9 |
| UN transport number | UN 1993 3/PG 2 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Flammable/Irritant |
| Hazard class | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Packing group | II |
| Customs code | 29039990 |
| Storage class | 3 - Flammable liquids |
| Limited quantities | 1.0 L (0.3 gallon) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| GHS classification | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (98.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 68 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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 | Flam. Liq. 2 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (98.5%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 1993 3/PG 2 |
| Customs code | 29039990 |
| Risk statements (R) | 11-36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS02,GHS07 |
| Hazard symbols | F,Xi |
| hazard_note | Flammable/Irritant |
| Safety statements (S) | 16-26-36/37/39-37/39-33-7/9 |
| Hazard class | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 3 - Flammable liquids |
| Packing group | II |
| Target organs | Respiratory system |
| GHS hazard statements | H225-H315-H319-H335 |
| Limited quantities | 1.0 L (0.3 gallon) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| GHS precautionary statements | P210-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
It is employed as intermediate in organic synthesis. It is also used as pharmaceutical intermediate.