What types of information are in the literature? • Physical constants • Melting point, boiling point, flash point, density, solubility data, toxicity data, refractive index. • Synthesis pathways • Experimental procedures • Spectroscopy data • FTIR, 1H-NMR, 13C-NMR, MS, UV-VIS • Background for research
Where search? • Google? • Reference books • Merck Index • CRC Handbook of Chemistry and Physics • March
The Merck Index • The Merck Index is a one-volume encyclopedia of chemicals, drugs and biologicals that contains more than 10,000 monographs. Each monograph in this authoritative reference source is a concise description of a single substance or a small group of closely related compounds. • Since it was first published in 1889, The Merck Index has become the standard reference for chemists, biochemists, pharmacologists, pharmacists, and related professionals.
The Merck Index • Compounds included: • human and veterinary drugs • biotech drugs and monoclonal antibodies • substances used for medical imaging • biologicals and natural products • plants and herbal medicines • nutraceuticals and cosmeceuticals • agricultural chemicals • industrial chemicals • laboratory reagents and catalysts • dyes, colors and indicators • environmentally significant substances
The Merck Index Information provided: • chemical, common and generic names • trademarks and associated companies • CAS Registry Numbers • chemical structures • molecular formulae, weights and percentage composition • capsule statements identifying compound classes and scientific significance
The Merck Index Information provided continued: • scientific and patent literature references • physical and toxicity data • therapeutic and commercial uses • caution and hazard information • In addition, there are Name, Formula, CAS Registry Number, and Therapeutic Category and Biological Activity indices. The collection of supplementary tables contains physical, chemical and biomedical data and listings of pharmaceutical company names, locations and experimental drug codes. The Organic Name Reactions section contains over 400 reactions featuring descriptions, literature references and graphical depictions.
CRC Handbook of Chemistry and Physics • The Table of Physical Constants for Organic Compounds: • Listed in alphabetical order by parent name. For 2-phenylethanol Ethanol -2-phenyl
CRC Handbook of Chemistry and Physics • The Table of Physical Constants for Organic Compounds: • Boiling points: • 254760, 12434
March's Advanced Organic Chemistry: Reactions, Mechanisms, and Structure , 6th ed.
Other sources…. • Chemical Abstracts, Beilstein • SciFinder • Journal articles/Databases • ACS Publications • Chemical and Engineering News • GALILEO (Current Contents: JACS, JOC) • JStor (Science) • Primary = original • Secondary = reviews, accounts
Chemfinder • May need to register yourself (free) to install plug-ins • ChemFinder • search using name, CAS number, molecular formula, MW • ChemACX Net • search using name or CAS number, or Advanced Query for substructure or exact structure • Organic Synthesis • 10 collective volumes, search using substructure, reaction, keyword, name, CAS number, or volume
Spectroscopy websites • National Institute of Standards and Technology Chemistry WebBook • Mass Spectrometry and Infrared Spectroscopy data, thermochemical data, and much, much more. • Spectral Data Base System for Organic Compounds (SDBS) • Huge searchable database of spectra, including IR, NMR, and MS.
Safety Information • Vermont SIRI MSDS Collection • Provides access to Material Safety Data Sheets directly from chemical manufacturers and from an online database. Chemical Toxicity reports can also be found at this site.