Introduction：Basic information about 1-Bromopentane CAS 110-53-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
1-Bromopentane Basic information
| Product Name: | 1-Bromopentane |
| Synonyms: | 1-bromo-pentan;1-Brompentan;1-Pentyl bromide;1-Pentylbromid;1-pentylbromide;n-C5H11Br;Pentane,1-bromo-;1-BROPMOPENTANE |
| CAS: | 110-53-2 |
| MF: | C5H11Br |
| MW: | 151.04 |
| EINECS: | 203-776-0 |
| Product Categories: | ALKYL BROMIDE;Alkyl Bromides;Monofunctional & alpha,omega-Bifunctional Alkanes;Monofunctional Alkanes;Bromine chemicals;Organics;K00001 |
| Mol File: | 110-53-2.mol |
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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 | n20/D 1.444(lit.) |
| Fp | 88 °F |
| storage temp. | Flammables area |
| solubility | H2O: insoluble |
| form | Liquid |
| color | Clear colorless to light yellow |
| Water Solubility | practically insoluble |
| Merck | 14,602 |
| BRN | 1730981 |
| 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 |
1-Bromopentane Usage And Synthesis
| Chemical Properties | liquid |
| Uses | 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. |
| Uses | 1-Bromopentane is used in a multitude of organic synthesis. It is used in iron-catalyzed alkylations of aromatic Grignard reagents via cross coupling. |
| Synthesis Reference(s) | Journal of the American Chemical Society, 86, p. 5037, 1964 DOI: 10.1021/ja01076a084 |
| General Description | 1-Bromopentane undergoes phase transfer catalysed alkylation reaction with 2′-hydroxy acetophenone using tetrabutyl ammonium bromide as catalyst. |
| Safety Profile | Moderately toxic byintraperitoneal route. Slightly toxic by inhalation. Whenheated to decomposition it emits toxic vapors of Br-. |
| Purification Methods | Wash the bromide with conc H2SO4, then water, 10% Na2CO3 solution, again with water, dry with CaCl2 or K2CO3, and fractionally distil it just before use. [Beilstein 1 IV 312.] |
1-Bromopentane Preparation Products And Raw materials
| Raw materials | 1-Pentanol-->1-Chloropentane |
| Preparation Products | 1-OCTENE-->5-BROMO-2(3H)-BENZOXAZOLONE-->PENTYL ETHER-->TETRAPENTYLAMMONIUM BROMIDE-->PENTYLTRIPHENYLPHOSPHONIUM BROMIDE-->1-PENTANESULFONIC ACID SODIUM SALT MONOHYDRATE-->N-Methylpentylamine-->Sodium pentanesulfonate-->Decane-->dodecane-6,7-dione-->CIS-10-PENTADECENOIC ACID METHYL ESTER (C15:1)-->4-Ethynyl-4'-pentyl-1,1'-biphenyl-->Micafungin Side Chain Methyl Ester-->2-METHYL-2-HEPTANOL-->3-oxo-2-pentylcyclopentaneacetic acid-->4-PENTYLOXYANILINE |
