1-Bromo-2-ethylbutane - CAS 3814-34-4
Catalog: |
BB023548 |
Product Name: |
1-Bromo-2-ethylbutane |
CAS: |
3814-34-4 |
Synonyms: |
3-(bromomethyl)pentane |
IUPAC Name: | 3-(bromomethyl)pentane |
Description: | 1-Bromo-2-ethylbutane (CAS# 3814-34-4 ) is a useful research chemical. |
Molecular Weight: | 165.07 |
Molecular Formula: | C6H13Br |
Canonical SMILES: | CCC(CC)CBr |
InChI: | InChI=1S/C6H13Br/c1-3-6(4-2)5-7/h6H,3-5H2,1-2H3 |
InChI Key: | KKGUMGWNFARLSL-UHFFFAOYSA-N |
Boiling Point: | 143-144 ℃ |
Density: | 1.179 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
Storage: | Refrigerator (+4 ℃) + Flammables area |
MDL: | MFCD00000219 |
LogP: | 2.81750 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021062036-A1 | Jak inhibitors | 20190925 |
CN-110078668-A | A kind of phenylimidazole class XOR inhibitor and preparation and application | 20190516 |
US-2020369669-A1 | Jak inhibitors | 20190508 |
WO-2020227563-A1 | Jak inhibitors | 20190508 |
US-11136329-B2 | JAK inhibitors | 20190508 |
Complexity: | 31.2 |
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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