Substances
Note: For the Substances search type with a term in the field, the Molecular Formula Advanced Search Field with the AND operator is present by default.
To search using a different Advanced Search Field:
- Select the operator:
- AND
- OR
- NOT
Notes:- You may have up to 50 Advanced Search Fields (49 if also using the main search field).
- Advanced Search Fields and their operators are processed in OR/AND/NOT order. See Substance Advanced Search Examples.
- If you are using Advanced Search fields only, the first field you select will not have an operator.
- Select and enter the value or property. Multiple entries must be delimited by a comma, space, or semicolon. Note: You may enter up to 1000 characters including spaces, commas, or semicolons.
- Molecular Formula
Note: Use dot-disconnection (e.g., C22H26CuN2O5.C2H3N) to indicate individual components when searching for salts and other multicomponent substances. - CAS Registry Number:
- Substance RN
- Component RN
- Chemical Identifier:
- Chemical Name
- InChI Key
- Document Identifier
- Patent Identifier
- Experimental Spectra:
- Proton NMR
- Carbon-13 NMR
- Nitrogen-15 NMR
- Fluorine-19 NMR
- Phosphorous-31 NMR
- Biological:
- Bioconcentration Factor
- Median Lethal Dose (mg/kg)
- Chemical Properties:
- Koc
- logD
- logP
- Mass Intrinsic Solubility (g/L)
- Mass Solubility (g/L)
- Molar Intrinsic Solubility (g/L)
- Molar Solubility (g/L)
- Molecular Weight
- pKa
- Vapor Pressure (Torr)
- Density:
- Density (g/cm3)
- Molar Volume (cm3/mol)
- Electrical:
- Electric Conductance (S)
- Electric Conductivity (S/cm)
- Electric Resistance (ohm)
- Electric Resistivity (ohm*cm)
- Lipinski:
- Freely Rotatable Bonds
- Hydrogen Acceptors
- Hydrogen Donor/Acceptor Sum
- Hydrogen Donors
- Magnetic: Magnetic Moment (muB)
- Mechanical: Tensile Strength (Mpa)
- Optical and Scattering:
- Optical Rotatory Power (degrees)
- Refractive Index
- Structure Related: Polar Surface Area (Ų)
- Thermal:
- Boiling Point (°C)
- Enthalpy of Vaporization (kj/mol)
- Flash Point (°C)
- Glass Transition Temperature (°C)
- Melting Point (°C)
Note: Check the Search key property values only box (when available for a property) to focus the property query only on data found in a substance's Key Physical Properties box or preferred substance values.
- Molecular Formula
You may change the order of the operators/fields by clicking the Drag icon and moving the field. If there is only one operator, it will not move.
Substance Advanced Search Examples
Example 1
This query is processed as: (Flash Point (°C): >219 OR Melting Point (°C): <220) AND Median Lethal Dose (mg/kg): >160
This means each substance must have a Median Lethal Dose (mg/kg) of >160
AND
a Flash Point (°C) of >219
OR
a Melting Point (°C) of <220
This query could return substances that have:
- Median Lethal Dose (mg/kg): >160 and Flash Point (°C): >219
- Median Lethal Dose (mg/kg): >160 and Melting Point (°C): <220
- Median Lethal Dose (mg/kg): >160, Flash Point (°C): >219, and Melting Point (°C): <220
Example 2
This query is processed as: Flash Point (°C): >219 NOT (Melting Point (°C): <220 AND Median Lethal Dose (mg/kg): >160)
This means each substance must have a Flash Point (°C) of >219
AND
NOT have a Melting Point (°C) of <220
AND
NOT have a Median Lethal Dose (mg/kg) of >160
This query could return substances that have:
- Flash Point >219 AND Median Lethal Dose of >160 (as long as it does not contain a Melting Point of <220)
- Flash Point >219 AND Melting Point of <220 (as long as it does not contain a Median Lethal Dose of >160)
Example 3
This query is processed as: ((C30H50O AND 426.72) NOT (-18.0 OR 2.5 OR -8.06)) AND Structure
This means each substance must have a relationship to the structure searched
AND
Each substance must have a Molecular Formula of C30H50O AND a Molecular Weight of 426.72
AND
NOT have an Optical Rotatory Power of -18.0 OR 2.5 OR -8.06
References
Note: For the References search type with a term in the field, the Author Name Advanced Search Field with the AND operator is present by default.
To search using a different Advanced Search Field:
- Select the operator:
- AND
- OR
- NOT
Notes:
-
You may have up to 50 Advanced Search Fields (49 if also using the main search field).
-
Advanced Search Fields and their operators are processed in OR/AND/NOT order.
See Reference Advanced Search Examples. -
If you are using Advanced Search fields only, the first field you select will not have an operator.
-
- Select and enter the value or property (up to 1000 characters including spaces; commas and other punctuation not counted towards character limit):
- Authors:
- Author Name (See Find References by a Specific Author for more information.)
- ORCID iD > ORCID iDs can be entered in the following formats:
- 16 digits with hyphens: e.g., 0000-0001-2345-6789
- 16 digits without hyphens: e.g., 0000000123456789
- URL for the ORCID record: e.g., https://orcid.org/0000-0001-2345-6789
- Publication Name (See Find a Reference Using Publication Information for more information):
- Volume (Optional)
- Issue (Optional)
- Starting Page (Optional)
- Organization Name
- Title: Enter one full or partial title query. Text terms are searched in the order in which they are entered.
- Abstract/Keywords: Searches the reference’s abstract and keywords, which are listed in some cases below the abstract. For best results, enter one term/keyword per line. If the keyword is a multiword phrase, option to enclose the phrase in double quotations to create a bound phrase.
Note: The Abstract/Keywords field also searches CAS Concept Modifiers.
- Concept: Searches indexed CAplus, Medline Mesh, and Medline Supplementary Concepts. Enter one concept per line.
- Substances:
- CAS Registry Number
- Chemical Name: Enter one full chemical name. Chemical names are searched exactly as entered, and must match an existing registered Substance name.
- Publication Year
- Document Identifier (CODEN, ISBN, ISSN, CAN, and AN)
- Patent Identifier (Patent Number or Classification Code)
- Publisher
- Authors:
You may change the order of the fields by clicking the Drag icon and moving the field.
To edit the Advanced Search Fields from the results page, click the Edit Search button in the References search field.
Reference Advanced Search Examples
| Example 1 |
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This query is processed as: (Viscosity OR Humidity) AND Permeability This means each reference must have Permeability AND Viscosity OR Humidity. This query could return documents that have:
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| Example 2 | |
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This query is processed as: Viscosity NOT (Humidity AND Permeability) This means each reference must have Viscosity but does NOT have both Humidity AND Permeability. This query could return documents that have Viscosity and Humidity. |
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| Example 3 |
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This query is processed as:
(herbicidal OR ((cacodylic acid AND herbicide) NOT (Polyoxyalkylenes OR 7440-38-2))) AND
AND Each reference must have herbicidal OR have the Abstract/Keywords cacodylic acid AND herbicide, but NOT the Concept of Polyoxyalkylenes OR the CAS Registry Number of 7440-38-2. This query could return documents that have:
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