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Basic Description
| Synonyms | AI3-15308 | 1-Butyl bromide | BBU | A802070 | JC10149 | SCHEMBL8141 | 4-bromobutane | 4-bromo-butane | FT-0663658 | n-butyl-bromide | 1-BROMOBUTANE;1-BUTYL BROMIDE;BROMOBUTANE;BUTYL BROMIDE;N-BUTYL BROMIDE | EN300-19285 | N-BUTYL BROMIDE [HSDB] | 1-Bromob |
|---|---|
| Specifications & Purity | ≥99%(GC) |
| Storage Temp | Protected from light,Room temperature |
| Shipped In | Normal |
| Product Description |
1-Bromobutane, an alkyl halide, is an alkylating agent. Its rotational constants, nuclear quadrupole constants and centrifugal distortion constants have been stated based on microwave spectral data. The rate coefficient for the reaction of 1-bromobutane with hydrogen atoms has been reported to be 2.4±1.2x1010cm3mol-1s-1. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organohalogen compounds
- Class Organobromides
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Superclass
Organohalogen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Class | Organobromides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organobromides |
| Alternative Parents | Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom. |
| External Descriptors | Not available |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 504751539 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751539 |
| IUPAC Name | 1-bromobutane |
| INCHI | InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3 |
| InChIKey | MPPPKRYCTPRNTB-UHFFFAOYSA-N |
| Smiles | CCCCBr |
| Isomeric SMILES | CCCCBr |
| WGK Germany | 2 |
| RTECS | EJ6225000 |
| UN Number | 1126 |
| Packing Group | II |
| Molecular Weight | 137.02 |
| Beilstein | 1098260 |
| Reaxy-Rn | 1098260 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098260&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2521388 |
Certificate of Analysis | Apr 12, 2025 | B105252 |
| D2521394 |
Certificate of Analysis | Apr 12, 2025 | B105252 |
| D2521395 |
Certificate of Analysis | Apr 12, 2025 | B105252 |
| D2525489 |
Certificate of Analysis | Apr 12, 2025 | B105252 |
| G2508727 |
Certificate of Analysis | Apr 12, 2025 | B105252 |
| G2508728 |
Certificate of Analysis | Apr 12, 2025 | B105252 |
| F2505265 |
Certificate of Analysis | Apr 12, 2025 | B105252 |
| F2505266 |
Certificate of Analysis | Apr 12, 2025 | B105252 |
| L2411355 |
Certificate of Analysis | Nov 29, 2024 | B105252 |
| L2411356 |
Certificate of Analysis | Nov 29, 2024 | B105252 |
| L2411647 |
Certificate of Analysis | Nov 29, 2024 | B105252 |
| J2421355 |
Certificate of Analysis | Oct 14, 2024 | B105252 |
| J2421354 |
Certificate of Analysis | Oct 14, 2024 | B105252 |
| F2417112 |
Certificate of Analysis | Jun 07, 2024 | B105252 |
| F2417113 |
Certificate of Analysis | Jun 07, 2024 | B105252 |
| H2231118 |
Certificate of Analysis | Jun 04, 2024 | B105252 |
| F2230157 |
Certificate of Analysis | Apr 02, 2024 | B105252 |
| B2423723 |
Certificate of Analysis | Jan 29, 2024 | B105252 |
| B2423724 |
Certificate of Analysis | Jan 29, 2024 | B105252 |
| I2409371 |
Certificate of Analysis | Jan 29, 2024 | B105252 |
| K2307435 |
Certificate of Analysis | Oct 26, 2023 | B105252 |
| K2307436 |
Certificate of Analysis | Oct 26, 2023 | B105252 |
| K2307437 |
Certificate of Analysis | Oct 26, 2023 | B105252 |
| H2316269 |
Certificate of Analysis | Aug 01, 2023 | B105252 |
| H2316270 |
Certificate of Analysis | Aug 01, 2023 | B105252 |
| H2316271 |
Certificate of Analysis | Aug 01, 2023 | B105252 |
| J2116445 |
Certificate of Analysis | Jul 11, 2023 | B105252 |
| F2320229 |
Certificate of Analysis | Jun 12, 2023 | B105252 |
| F2320217 |
Certificate of Analysis | Jun 12, 2023 | B105252 |
| C2316628 |
Certificate of Analysis | Feb 11, 2023 | B105252 |
| C2316629 |
Certificate of Analysis | Feb 11, 2023 | B105252 |
| A2303024 |
Certificate of Analysis | Nov 29, 2022 | B105252 |
| A2303025 |
Certificate of Analysis | Nov 29, 2022 | B105252 |
| A2303026 |
Certificate of Analysis | Nov 29, 2022 | B105252 |
| K2209287 |
Certificate of Analysis | Oct 24, 2022 | B105252 |
| K2209285 |
Certificate of Analysis | Oct 24, 2022 | B105252 |
| K2209286 |
Certificate of Analysis | Oct 24, 2022 | B105252 |
| H2231120 |
Certificate of Analysis | Jul 21, 2022 | B105252 |
| H2231119 |
Certificate of Analysis | Jul 21, 2022 | B105252 |
| F2230155 |
Certificate of Analysis | Jun 17, 2022 | B105252 |
| C2202518 |
Certificate of Analysis | Feb 15, 2022 | B105252 |
| C2202502 |
Certificate of Analysis | Feb 15, 2022 | B105252 |
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Chemical and Physical Properties
| Solubility | Miscible with ethanol and diethyl ether. Immiscible with water. |
|---|---|
| Sensitivity | Light sensitive. |
| Refractive Index | 1.4398 |
| Flash Point(°F) | 50.0 °F |
| Flash Point(°C) | 10℃ |
| Boil Point(°C) | 101.6°C |
| Melt Point(°C) | -112.4°C |
| Molecular Weight | 137.020 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 135.989 Da |
| Monoisotopic Mass | 135.989 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 13.100 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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