1-Bromopentane #CAS110-53-2
Bromopentane, with the chemical formula C5H11Br, molecular weight 151.045, CAS number 110-53-2, also known as 1-bromopentane, n-pentylbromine, or bromopentane, is a colorless, transparent liquid with a melting point of -95℃, a boiling point of 130℃, a density of 1.2-1.22 g/cm³, and a flash point of 31℃. It is insoluble in water but soluble in organic solvents such as ethanol and ether. Bromopentane is a flammable liquid (flash point 31.1℃), possessing irritant and aquatic toxicity. It may react with oxidants or strong alkalis to produce hydrogen bromide. It is mainly produced by the reaction of hydrobromic acid and 1-pentanol under concentrated sulfuric acid catalysis and is used as an intermediate in pharmaceuticals, dyes, and fragrances. It should be stored in a cool, ventilated place away from fire sources, and leaks should be treated with activated carbon adsorption. Studies have shown that its vapor can induce reversible color changes in supramolecular charge-transfer assemblies, which can be used for the differentiation and detection of halogenated hydrocarbon isomers.
Application of 1-Bromopentane
1-Bromopentane is a chemical reagent used in a multitude of organic syntheses. It is used iron-catalyzed alkylations of aromatic Grignard reagents via cross coupling. It is used in the synthesis of α, γ-diketo acids as reversible inhibitors of Hepatitis C virus NS5b RNA polymerase.1-Bromopentane is used in a multitude of organic synthesis. It is used in iron-catalyzed alkylations of aromatic Grignard reagents via cross coupling.
| 1-Bromopentane Chemical Properties |
| Melting point | −95 °C(lit.) |
| Boiling point | 130 °C(lit.) |
| density | 1.218 g/mL at 25 °C(lit.) |
| vapor density | >1 (vs air) |
| refractive index | n |
| Fp | 88 °F |
| storage temp. | Flammables area |
| solubility | H2O: insoluble |
| form | Liquid |
| color | Clear colorless to light yellow |
| Water Solubility | practically insoluble |
| Thermal Conductivity | 0.105 W/(m·K) at 25 ℃ |
| Merck | 14,602 |
| BRN | 1730981 |
| Henry's Law Constant | 5.0×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Dielectric constant | 6.3（10℃） |
| Stability: | Stable. Flammable. Incompatible with strong oxidizing agents, strong bases. |
| InChI | 1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3 |
| InChIKey | YZWKKMVJZFACSU-UHFFFAOYSA-N |
| SMILES | CCCCCBr |
| CAS DataBase Reference | 110-53-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Pentane, 1-bromo-(110-53-2) |
| EPA Substance Registry System | Pentane, 1-bromo- (110-53-2) |
| Safety Information |
| Hazard Codes | Xi,F,N,Xn |
| Risk Statements | 10-36/37/38-51/53-22 |
| Safety Statements | 26-36-61-37/39-29-16 |
| RIDADR | UN 1993 3/PG 3 |
| WGK Germany | 2 |
| RTECS | RZ9770000 |
| Hazard Note | Irritant/Flammable |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29033036 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Aquatic Chronic 2 Flam. Liq. 3 Skin Irrit. 2 |
| Toxicity | LD50 ipr-mus: 1250 mg/kg GTPZAB 20(12),52,76 |
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