Crotyl bromide - CAS 29576-14-5
Catalog: |
BB020241 |
Product Name: |
Crotyl bromide |
CAS: |
29576-14-5 |
Synonyms: |
(E)-1-bromobut-2-ene |
IUPAC Name: | (E)-1-bromobut-2-ene |
Description: | Crotyl bromide (CAS# 29576-14-5) is an intermediate in synthesizing Tabanone (T003450), found in oils of Trifolium pratense L. and is a potential natural antioxidant. |
Molecular Weight: | 135.00 |
Molecular Formula: | C4H7Br |
Canonical SMILES: | CC=CCBr |
InChI: | InChI=1S/C4H7Br/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+ |
InChI Key: | AVMHMVJVHYGDOO-NSCUHMNNSA-N |
Boiling Point: | 104.5 °C at 760 mmHg |
Density: | 1.331 g/cm3 |
Appearance: | Colorless to light yellow liquid |
MDL: | MFCD00000248 |
LogP: | 1.95740 |
GHS Hazard Statement: | H225 (100%): Highly Flammable liquid and vapor [Danger 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: | Danger |
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PMID | Publication Date | Title | Journal |
21538904 | 20110801 | Palladium-catalyzed allyl cross-coupling reactions with in situ generated organoindium reagents | Chemistry, an Asian journal |
20027999 | 20100205 | Indium-mediated asymmetric barbier-type allylations: additions to aldehydes and ketones and mechanistic investigation of the organoindium reagents | The Journal of organic chemistry |
21580997 | 20081018 | (E)-1,1'-Bis[(E)-but-2-en-yl]-3,3'-(propane-1,3-di-yl)bis-(1H-benzimidazol-3-ium) dibromide monohydrate | Acta crystallographica. Section E, Structure reports online |
17042595 | 20061014 | Photodissociation of 1-bromo-2-butene, 4-bromo-1-butene, and cyclopropylmethyl bromide at 234 nm studied using velocity map imaging | The Journal of chemical physics |
16268656 | 20051111 | Synthesis of eupomatilone-6 and assignment of its absolute configuration | The Journal of organic chemistry |
Complexity: | 30.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 133.97311 |
Formal Charge: | 0 |
Heavy Atom Count: | 5 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 133.97311 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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