HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,3,5-Trifluorobenzene
1,3,5-Trifluorobenze · 1,3,5-TrifL · Trifluorobenzene3 · sym-Trifluorobenzene · 1,3,5-Trifluorbenzol · 1,3,5-TRIFLUOROBENZENE · 1,3,5-TRIFLUOTOBENZENE · Benzene, 1,3,5-trifluoro-
Identifiers & Physical Properties
| CAS No. | 372-38-3 |
|---|---|
| Molecular formula | C6H3F3 |
| Average molar mass | 132.08 g/mol |
| Monoisotopic mass | 132.01868476 g/mol |
| SMILES | Fc1cc(F)cc(F)c1 |
| InChIKey | JXUKFFRPLNTYIV-UHFFFAOYSA-N |
| PubChem CID | 9745 |
| EC No. | 206-751-2 |
| DTXSID | DTXSID90190686 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 63.3 |
| Chemical classes | Other Classes -> Halogenated Monoaromatics |
| SpringerMaterials Properties | Schoenflies notation |
| Vapor pressure | 104.0 [mmHg] |
| Physical Description | Colorless liquid[MSDSonline] |
| Melting point | -5.5 °C (lit.) |
| Boiling point | 75-76 °C (lit.) |
| Density | 1.277 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.414(lit.) |
| Flash point | 19 °F |
| Storage conditions | Flammables area |
| Physical state | clear liquid |
| Specific gravity | 1.277 |
| Color | Colorless to Almost colorless |
| Solubility | Insoluble in water. |
| BRN | 1906457 |
| InChI | InChI=1S/C6H3F3/c7-4-1-5(8)3-6(9)2-4/h1-3H |
| InChIKey | JXUKFFRPLNTYIV-UHFFFAOYSA-N |
| SMILES | C1(F)=CC(F)=CC(F)=C1 |
| CAS DataBase Reference | 372-38-3(CAS DataBase Reference) |
| FDA UNII | BN94C411F8 |
| NIST Chemistry Reference | 1,3,5-Trifluorobenzene(372-38-3) |
| 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) | 16-26-36-7-33-29-7/9 |
| UN transport number | UN 1993 3/PG 2 |
| Water hazard class (WGK) | 2 |
| Hazard Note | Flammable |
| 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 (97.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazards summary | An irritant[MSDSonline] |
| Hazard Classes and Categories | Flam. Liq. 2 (97.9%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 2 |
| 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 |
| Safety statements (S) | 16-26-36-7-33-29-7/9 |
| 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 |
Applications & Uses
Uses
1,3,5-Trifluorobenzene was used in the synthesis of (-)-epicatechin and its 3-O-gallate. It is also used as an intermediate in organic chemical synthesis.
Uses
1,3,5-Trifluorobenzene was used in the synthesis of ()-epicatechin and its 3-O-gallate.
General Description
Rotational Raman spectra of 1,3,5-trifluorobenzene has been studied under high resolution using a single mode argon laser as the exciting source. Proton and fluorine magnetic resonance spectra of 1,3,5-trifluorobenzene in a nematic liquid crystal has been analyzed.