1-Bromo-4-methylpentane - CAS 626-88-0
Catalog: |
BB031732 |
Product Name: |
1-Bromo-4-methylpentane |
CAS: |
626-88-0 |
Synonyms: |
1-bromo-4-methylpentane |
IUPAC Name: | 1-bromo-4-methylpentane |
Description: | 1-Bromo-4-methylpentane (CAS# 626-88-0) is an intermediate for organic synthesis. |
Molecular Weight: | 165.07 |
Molecular Formula: | C6H13Br |
Canonical SMILES: | CC(C)CCCBr |
InChI: | InChI=1S/C6H13Br/c1-6(2)4-3-5-7/h6H,3-5H2,1-2H3 |
InChI Key: | XZKFBZOAIGFZSU-UHFFFAOYSA-N |
Boiling Point: | 146 °C |
Melting Point: | -71 °C |
Purity: | 95 % |
Density: | 1.134 g/cm3 |
Appearance: | Colorless liquid |
Storage: | Keep tightly closed. Keep away from heat and open flame. Store in a cool dry place. |
MDL: | MFCD00013544 |
LogP: | 2.81750 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P305+P351+P338, P330, P337+P313, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21129369 | 20110201 | First total synthesis and antileishmanial activity of (Z)-16-methyl-11-heptadecenoic acid, a new marine fatty acid from the sponge Dragmaxia undata | Chemistry and physics of lipids |
Complexity: | 33.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.02006 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.02006 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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