FINDING PHYSICAL AND CHEMICAL PROPERTIES ON THE INTERNET Margarete Bower Chemistry Library

PERIODIC TABLES  WebElements  Periodic Table of Data tm  The Biochemical Periodic Table  EnvironmentalChemistry.com’s Periodic Table of the Elements

MATERIAL SAFETY DATA SHEETS (MSDS)  Chemical company’s web page, for example: Aldrich Chemical Company  MSDS Search (Needs Front Page Server Extensions software and web server capability.)  MSDS Xchange MSDS contains basic property and safety information. Many sites require free registration now to view the documents.

SPECTRA NMRShiftDB   Depository for organic structures and NMR spectra  Search by compound  Search by NMR peaks

Spectral Database for Organic Compounds (SDBS)   National Institute of Advanced Industrial Science and Technology (AIST), Japan  Search by compound name, molecular formula, molecular weight, CAS registry number  Search by spectral data  NMR (proton and carbon-13), IR, Raman, MS, ESR

LipidBank   Japanese Conference on the Biochemistry of Lipids  Physical properties; UV,IR, NMR, MS data or spectra BMRB: Biological Magnetic Resonance Bank   University of Wisconsin – Madison, Dept. of Biochemistry  NMR data for proteins, peptides, and nucleic acids

Sigma-Aldrich Online Catalog Spectra for many compounds are linked under “Related Information” Organic Syntheses NMR spectra for products starting with volume 81

CHEMFINDER Free searching, but extended use may require registration. Links to many other data sources. Some require subscriptions. Information available may include: Chemical structure and chemical name synonyms CAS registry numbers mp, bp, density, refractive index, vapor pressure, water solubility, flash point, evaporation rate, links to spectra

NIST – National Institute for Science and Technology (U.S.) Look under “Databases” NIST Chemistry WebBook Property, thermodynamic, and spectra information Organics and inorganics Considered highly reliable data

MatWeb  Over 62,000 materials  Polymers and plastics, metals, superalloys, ceramics, composites, lubricants.  Search by material type or name, property value, metal composition. Compare properties of three materials.  Data from commercial suppliers and handbook data.  Free registration provides extra features. Access to all features requires subscription.  Chinese language interface

CHEMEXPER  Information may include: Chemical name synonyms and structure Physical properties May link to spectra and MSDS  Chemical Calculator and Property Explorer calculate properties based on molecular formula or structure

KNOVEL  Knovel Critical Tables may be searched and viewed without a subscription.  Browse titles; sort by Title Name; choose Knovel Critical Tables  Entire database of digital handbooks may be searched to find references for sources of data. Contents can not be viewed without a subscription.

SciFinder Scholar  Many compound records now contain calculated and experimental property information.  May have links to spectra Beilstein and Gmelin  Property data is included in compound records  References to sources of spectra and spectral data. Some data is included in compound records.

SPECIALIZED TOPICS Thermodex (University of Texas at Austin) Index to sources of thermodynamic data. Solv-DB (National Center for Manufacturing Sciences) Information on solvents

Vapor Pressure Data (from Computer Aided Data Book of Vapor Pressure) Electron Binding Energies (compiled by Gwyn Williams)

TOXNET – Toxicology Data Network (U.S. National Library of Medicine) NIOSH Pocket Guide to Chemical Hazards

DIRECTORIES CHEMINFO Chemical Information Sources – Indiana University Highly regarded compilation of websites for resource guides, databases, instructional materials, and networking. Selected Internet Resources for Chemistry (SIRCh) Ch:_Selected_Internet_Resources_for_Chemistry Ch:_Selected_Internet_Resources_for_Chemistry

Chemistry Library Guides – University of Buffalo SUNY mistry#4 Links to lists of print and online resources for finding property information and spectra. See also a paper by Ben Wagner, the Chemistry Librarian: /documents/wagner_phys_propstl_art.pdf

Chemical Information Page – Arizona State University Property Data Index at Spectroscopy Resources at 10 Easy Tips for Finding Property Data

Physical and Chemical Properties – University of Florida Library catalog records are also encoded to indicate the types of property information available in the book.

SEARCH THE INTERNET Google Scholar Google Directories Scirus

TIPS ON SEARCHING FOR COMPOUNDS  Chemical names  Use synonyms  Inverted or regular nomenclature?  Benzene, 1,4-dinitro- or 1,4-dinitrobenzene  Use CAS registry numbers if available  Check proper format for chemical formula  C 7 H 7 NO 2 instead of CH 3 C 6 H 4 NO 2  C 6 Cl 3 FeN 6 instead of Fe(CN) 6 Cl 3

MatWeb

Periodic Tables  Web Elements  Periodic Table of the Elements (EnvironmentalChemistry.com)  Periodic Table of X-Ray Properties  Periodic Table of Data (Royal Society of Chemistry)  Periodic Table (American Chemical Society )  Google Web Directory: Periodic Table

WebElements

Periodic Table of X-Ray Properties

Royal Society of Chemistry

 Alexej Jerschow’s Interactive NMR Frequency Map (New York U.)

NMR - Properties  eNMR - NMR Periodic Table (Bruker )

NMR – Properties Numare Spectralab Inc. NMR periodic table, deuterated solvents, residual solvent resonances 1 H and 13 C