614-47-1
Product Name:
trans-Chalcone
Formula:
C15H12O
Synonyms:
Benzalacetophenone;Benzylideneacetophenone;Chalcone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Yellow powder; [Alfa Aesar MSDS] |
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Boiling Point | 346.50 °C. @ 760.00 mm Hg |
Melting Point | 57.5 °C |
Vapor Pressure | 0.000107 [mmHg] |
LogP | 4.018 |
Kovats Retention Index | 1970.6 |
Chemical Classes | Other Classes -> Aromatic Ketones |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 208.25 g/mol |
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XLogP3 | 3.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 3 |
Exact Mass | 208.088815002 g/mol |
Monoisotopic Mass | 208.088815002 g/mol |
Topological Polar Surface Area | 17.1 Ų |
Heavy Atom Count | 16 |
Formal Charge | 0 |
Complexity | 242 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Chalcone is a member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been replaced by a benzylidene group. It has a role as a plant metabolite. It is a member of styrenes and a member of chalcones.