1-Bromoheptane - CAS 629-04-9
Catalog: |
BB031875 |
Product Name: |
1-Bromoheptane |
CAS: |
629-04-9 |
Synonyms: |
1-bromoheptane |
IUPAC Name: | 1-bromoheptane |
Description: | 1-Bromoheptane (CAS# 629-04-9) is a reagent that is used for the preparation of alkylthiophienylzinc chloride. |
Molecular Weight: | 179.10 |
Molecular Formula: | C7H15Br |
Canonical SMILES: | CCCCCCCBr |
InChI: | InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3 |
InChI Key: | LSXKDWGTSHCFPP-UHFFFAOYSA-N |
Boiling Point: | 180 °C |
Melting Point: | -58 °C |
Purity: | 98 % |
Density: | 1.14 g/cm3 |
Appearance: | Colorless liquid |
Storage: | Store at RT. |
MDL: | MFCD00000273 |
LogP: | 3.35170 |
Vapor Pressure: | 1.27 [mmHg] |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22635110 | 20120524 | Microwave-assisted preparation of the quorum-sensing molecule 2-heptyl-3-hydroxy-4(1H)-quinolone and structurally related analogs | Nature protocols |
21830773 | 20110919 | Preclinical genotoxicology of nor-β-lapachone in human cultured lymphocytes and Chinese hamster lung fibroblasts | Chemical research in toxicology |
21837184 | 20110701 | 3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-heptyl-benzimidazolium) dibromide monohydrate | Acta crystallographica. Section E, Structure reports online |
21115213 | 20110101 | Synthesis and evaluation of quinonoid compounds against tumor cell lines | European journal of medicinal chemistry |
21145749 | 20110101 | Synthesis of truncated analogues of the iNKT cell agonist, α-galactosyl ceramide (KRN7000), and their biological evaluation | Bioorganic & medicinal chemistry |
Complexity: | 35.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.03571 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.03571 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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