trans-1-Phenyl-2-buten-1-one - CAS 35845-66-0
Catalog: |
BB022767 |
Product Name: |
trans-1-Phenyl-2-buten-1-one |
CAS: |
35845-66-0 |
Synonyms: |
(E)-1-phenylbut-2-en-1-one |
IUPAC Name: | (E)-1-phenylbut-2-en-1-one |
Description: | trans-1-Phenyl-2-buten-1-one (CAS# 35845-66-0) is a useful reagent for organic synthesis. It is used in the halogen-bonding-catalyzed Michael addition reaction. |
Molecular Weight: | 146.19 |
Molecular Formula: | C10H10O |
Canonical SMILES: | CC=CC(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C10H10O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-8H,1H3/b6-2+ |
InChI Key: | FUJZJBCWPIOHHN-QHHAFSJGSA-N |
Boiling Point: | 225.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 0.99 g/cm3 |
LogP: | 2.44540 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
19718721 | 20091005 | Synthesis and reactivity of six-membered oxa-nickelacycles: a ring-opening reaction of cyclopropyl ketones | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 146.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.073164938 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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