HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Bromo-5-fluorotoluene
1-BROMO-4-FLUORO-2-METHYLBENZENE · 2-BROMO-5-FULUOROTOLRENE · 2-Bromo-5-fL · 2-Bromo-5-fluorotolu · 2-Brom-5-fluortoluol · 2-Bromo-5-flurotoluene · 3-FLUORO-6-BROMOTOLUENE · 2-BROMO-5-FLUOROTOLUENE
Identifiers & Physical Properties
| CAS No. | 452-63-1 |
|---|---|
| Molecular formula | C7H6BrF |
| Average molar mass | 189.02 g/mol |
| Monoisotopic mass | 187.96369051 g/mol |
| SMILES | Cc1cc(F)ccc1Br |
| InChIKey | RJPNVPITBYXBNB-UHFFFAOYSA-N |
| PubChem CID | 96743 |
| EC No. | 207-203-5 |
| DTXSID | DTXSID90196421 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 94.9 |
| Boiling point | 177 °C/756 mmHg (lit.) |
| Density | 1.495 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.526(lit.) |
| Flash point | 113 °F |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | Difficult to mix.INSOLUBLE |
| Physical state | clear liquid |
| Color | Colorless to Light yellow to Light orange |
| Specific gravity | 1.495 |
| BRN | 1859121 |
| InChI | InChI=1S/C7H6BrF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3 |
| InChIKey | RJPNVPITBYXBNB-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(F)C=C1C |
| CAS DataBase Reference | 452-63-1(CAS DataBase Reference) |
| FDA UNII | Z2EZM84G5X |
| NIST Chemistry Reference | 2-Bromo-5-fluorotoluene(452-63-1) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS07 |
| Signal word | Warning |
| GHS hazard statements | H226-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 | Xi |
| Risk statements (R) | 10-36/37/38 |
| Safety statements (S) | 16-26-36/37/39-37/39 |
| UN transport number | UN 1993 3/PG 3 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| Hazard class | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Packing group | III |
| Customs code | 29049090 |
| Storage class | 3 - Flammable liquids |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | WarningH226 (91.7%): Flammable liquid and vapor [Warning 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. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (91.7%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 1993 3/PG 3 |
| Customs code | 29049090 |
| Risk statements (R) | 10-36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS02,GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 16-26-36/37/39-37/39 |
| Hazard class | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Storage class | 3 - Flammable liquids |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H226-H315-H319-H335 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P210-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2-Bromo-5-fluorotoluene is used to produce other chemicals. It can produce 2-Bromo-5-fluoro-benzoic acid. The reaction occurs with reagent KMnO4, solvent H2O and other condition of heating.