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

2. PERIODIC TABLES  WebElements http://www.webelements.com/  Periodic Table of Data http://www.chemsoc.org/networks/learnnet/ptdata/table/index.h tm  The Biochemical Periodic Table http://umbbd.msi/umn.edu/periodic/periodic.html  EnvironmentalChemistry.com’s Periodic Table of the Elements http://environmentalchemistry.com/yogi/periodic/

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

4. SPECTRA NMRShiftDB  http://nmrshiftdb.ice.mpg.de/ http://nmrshiftdb.ice.mpg.de/  Depository for organic structures and NMR spectra  Search by compound  Search by NMR peaks

5. Spectral Database for Organic Compounds (SDBS)  http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi  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

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

7. Sigma-Aldrich Online Catalog http://www.sigmaaldrich.com Spectra for many compounds are linked under “Related Information” Organic Syntheses http://www.orgsyn.org NMR spectra for products starting with volume 81

8. CHEMFINDER http://chemfinder.cambridgesoft.com/ 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

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

10. MatWeb http://www.matweb.comhttp://www.matweb.com  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

11. CHEMEXPER http://chemexper.com/http://chemexper.com/  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

12. KNOVEL http://www.knovel.com/knovel2/library/default.jsp  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.

13. 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.

14. SPECIALIZED TOPICS Thermodex (University of Texas at Austin) http://www.lib.utexas.edu/thermodex/ Index to sources of thermodynamic data. Solv-DB (National Center for Manufacturing Sciences) http://solvdb.ncms.org/ Information on solvents

15. Vapor Pressure Data (from Computer Aided Data Book of Vapor Pressure) http://s-ohe.com/vp_data.html Electron Binding Energies (compiled by Gwyn Williams) http://xray.uu.se/hypertext/EBindEnergies.html

16. TOXNET – Toxicology Data Network (U.S. National Library of Medicine) http://toxnet.nlm.nih.gov NIOSH Pocket Guide to Chemical Hazards http://www.cdc.gov/niosh/npg/npgd0619.html

17. DIRECTORIES CHEMINFO Chemical Information Sources – Indiana University http://www.indiana.edu/~cheminfo/ Highly regarded compilation of websites for resource guides, databases, instructional materials, and networking. Selected Internet Resources for Chemistry (SIRCh) http://cheminfo.informatics.indiana.edu/cicc/cis/index.php/SIR Ch:_Selected_Internet_Resources_for_Chemistry http://cheminfo.informatics.indiana.edu/cicc/cis/index.php/SIR Ch:_Selected_Internet_Resources_for_Chemistry

18. Chemistry Library Guides – University of Buffalo SUNY http://libwebl.lib.buffalo.edu/infotree/resourcesbysubject.asp?subject=Che 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: http://www.ublib.buffalo.edu/libraries/asl/staff /documents/wagner_phys_propstl_art.pdf

19. Chemical Information Page – Arizona State University http://www.asu.edu/lib/noble/chem/ Property Data Index at http://www.asu.edu/lib/noble/chem/property.htm Spectroscopy Resources at http://www.asu.edu/lib/noble/pam/spectra.htm 10 Easy Tips for Finding Property Data http://www.asu.edu/lib/noble/chem/prophelp.htm

20. Physical and Chemical Properties – University of Florida http://uflib.ufl.edu/msl/subjects/cd/property.html Library catalog records are also encoded to indicate the types of property information available in the book.

21. SEARCH THE INTERNET Google Scholar http://scholar.google.com Google Directories http://directory.google.com Scirus http://www.scirus.com

22. 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

24. MatWeb

27. Periodic Tables  Web Elements http://www.webelements.com/  Periodic Table of the Elements (EnvironmentalChemistry.com) http://environmentalchemistry.com/yogi/periodic/  Periodic Table of X-Ray Properties http://www.csrri.iit.edu/periodic-table.html  Periodic Table of Data (Royal Society of Chemistry) http://www.chemsoc.org/networks/learnnet/ptdata/welcome.htm  Periodic Table (American Chemical Society ) http://www.chemistry.org/portal/a/c/s/1/acsdisplay.html?DOC=sitetools%5cperiodic_table.html# http://www.chemistry.org/portal/a/c/s/1/acsdisplay.html?DOC=sitetools%5cperiodic_table.html#  Google Web Directory: Periodic Table http://directory.google.com/Top/Science/Chemistry/Periodic_Table/

30. WebElements

31. Periodic Table of X-Ray Properties

32. Royal Society of Chemistry

34.  Alexej Jerschow’s Interactive NMR Frequency Map (New York U.) http://www.nyu.edu/cgi-bin/cgiwrap/aj39/NMRmap.cgi http://www.nyu.edu/cgi-bin/cgiwrap/aj39/NMRmap.cgi

35. NMR - Properties  eNMR - NMR Periodic Table (Bruker ) http://www.bruker.de/guide/eNMR/chem/NMRnuclei.html http://www.bruker.de/guide/eNMR/chem/NMRnuclei.html

36. NMR – Properties Numare Spectralab Inc. http://www.eclipse.net/~numare/ http://www.eclipse.net/~numare/ NMR periodic table, deuterated solvents, residual solvent resonances 1 H and 13 C