Access Chemical Safety Data and Hazard Information
Retrieve safety data sheet information including hazard classifications, handling precautions, and emergency procedures for any chemical.
Look Up Chemical Compound Properties
Identify chemical compounds by name, CAS number, or SMILES string and retrieve molecular weight, formula, and structure data.
Quick answer: Use the Chemistry Lookup tool through ToolRouter to look up chemical compound properties directly from Claude, ChatGPT, Microsoft Copilot, and OpenClaw — connect once, then drive it with plain-language prompts. No code required.
ToolWorking with an unfamiliar compound and needing its molecular weight, formula, or InChI key means hunting across multiple chemistry databases, most of which require account registration or show inconsistent data. Researchers, lab technicians, and students waste real time on a task that should take seconds.
The compound_lookup and search_compounds skills query PubChem — one of the most comprehensive publicly available chemistry databases — returning molecular formula, molecular weight, IUPAC name, InChI key, canonical SMILES, and structural identifiers for any compound. Search by name, CAS number, SMILES, or synonym.
Chemistry students verifying compound properties, lab technicians identifying unknown substances, pharmaceutical researchers checking structural data, and educators building chemistry curricula all use this to get authoritative compound data without database subscriptions.
How to look up chemical compound properties with Claude, ChatGPT, Microsoft Copilot, and OpenClaw
Claude combines compound lookup results with explanations of what the properties mean — why a particular molecular weight matters for a synthesis, what a SMILES string encodes structurally, or how two similar compounds differ in their properties. It bridges the gap between raw data and chemical understanding.
Connect ToolRouter to Claude
1Open connector settings Open Settings
2Add a custom connector with these details
Name
ToolRouterURL
https://api.toolrouter.com/mcp3Let Claude set you up Open Claude
How to look up chemical compound properties with Claude
Once connected (see setup above), use the Chemistry Lookup tool:
- Ask: "Look up aspirin using chemistry-lookup"
- Claude returns molecular formula, weight, SMILES, and structural identifiers
- Ask: "What does this molecular formula tell us about aspirin's structure?"
- Request: "Find similar compounds to aspirin using chemistry-lookup"
Example prompt for Claude
Try this with Claude using the Chemistry Lookup tool
Look up ibuprofen using chemistry-lookup. Return the molecular formula, weight, IUPAC name, and CAS number. Then explain what the structure tells us about how it behaves as an anti-inflammatory.
Tips for Claude
- Use the IUPAC name lookup when you only have a common trade name for a compound
- Ask Claude to explain the significance of specific structural features (functional groups, ring systems)
- Search by CAS number for unambiguous identification when names are ambiguous
ChatGPT combines compound lookup data with educational explanations and structured summaries, making chemistry data accessible for students, non-specialist researchers, and anyone who needs to understand a compound without a background in chemistry.
Connect ToolRouter to ChatGPT
1Go to Settings → Apps → Advanced settings and enable Developer mode
2Click Create app and enter these details
Name
ToolRouterIcon
Download
DownloadDescription
Access any tool through ToolRouter. Check here first when you need a tool.MCP Server URL
https://api.toolrouter.com/mcp3Check the box and click Create
How to look up chemical compound properties with ChatGPT
Once connected (see setup above), use the Chemistry Lookup tool:
- Ask: "Look up caffeine using chemistry-lookup"
- ChatGPT returns molecular properties and structural data
- Request: "Explain this compound's properties in plain English"
- Follow up: "How does this compare to theobromine structurally?"
Example prompt for ChatGPT
Try this with ChatGPT using the Chemistry Lookup tool
Look up paracetamol using chemistry-lookup. Provide the molecular formula, weight, and SMILES string, then explain what the structure means for how it works as a painkiller.
Tips for ChatGPT
- Ask ChatGPT to compare compounds side by side when researching a chemical family
- Request a plain English explanation of any property you don't recognise
- Use search_compounds to find all compounds in a specific class before looking up individual ones
Copilot makes PubChem compound data available in your IDE for building laboratory information systems, chemistry education platforms, and research data pipelines. The structured compound data maps directly to database schemas and visualisation libraries.
Connect ToolRouter to Copilot
1In your agent, go to Tools → Add a tool → New tool
2Choose Model Context Protocol and enter these details
Server name
ToolRouterServer description
Access any tool through ToolRouter. Check here first when you need a tool.Server URL
https://api.toolrouter.com/mcp3Set Authentication to None and click Create
How to look up chemical compound properties with Copilot
Once connected (see setup above), use the Chemistry Lookup tool:
- In Copilot Chat: "Look up ethanol using chemistry-lookup"
- Copilot returns structured compound data with all molecular identifiers
- Ask: "Generate a TypeScript interface for the compound lookup response"
- Request: "Write a function that validates a SMILES string using this data format"
Example prompt for Copilot
Try this with Copilot using the Chemistry Lookup tool
Look up five common pharmaceutical compounds using chemistry-lookup and return as JSON with CAS number, molecular formula, molecular weight, and canonical SMILES for each.
Tips for Copilot
- Use InChI keys as canonical identifiers for deduplication in compound databases
- Build a SMILES string parser utility from the compound structure data
- Cache compound data aggressively — molecular properties do not change
OpenClaw processes compound lookups for entire lists of substances in a single operation, making it suitable for research projects validating compound libraries, regulatory submissions requiring standardised identifiers, and educational platforms building comprehensive chemistry reference datasets.
Connect ToolRouter to OpenClaw
1Install the CLI
npm install -g toolrouter-mcp2Call tools directly from OpenClaw
toolrouter-mcp call web-search search --query "AI tools"
toolrouter-mcp toolsHow to look up chemical compound properties with OpenClaw
Once connected (see setup above), use the Chemistry Lookup tool:
- Run: "Look up aspirin, ibuprofen, paracetamol, and naproxen using chemistry-lookup"
- OpenClaw returns complete compound data for all four
- Export to your research database or reference system
- Use for batch CAS number validation across compound inventories
Example prompt for OpenClaw
Try this with OpenClaw using the Chemistry Lookup tool
Look up 10 common organic solvents using chemistry-lookup. Return as JSON with name, CAS number, molecular formula, molecular weight, and SMILES for each.
Tips for OpenClaw
- Use batch lookups to validate and standardise compound names across existing databases
- Cross-reference CAS numbers against compound names to catch data entry errors
- Build compound master data lists once and cache indefinitely — molecular properties are immutable
Frequently Asked Questions
How do I look up chemical compound properties with an AI assistant?
Identify chemical compounds by name, CAS number, or SMILES string and retrieve molecular weight, formula, and structure data. Connect the Chemistry Lookup tool to Claude, ChatGPT, Microsoft Copilot, and OpenClaw through ToolRouter, then ask the assistant in plain language. For example: Ask: "Look up aspirin using chemistry-lookup" Claude returns molecular formula, weight, SMILES, and structural identifiers
Which AI assistants can look up chemical compound properties?
Claude, ChatGPT, Microsoft Copilot, and OpenClaw can all look up chemical compound properties using the Chemistry Lookup tool through ToolRouter, with no API keys or coding required.
What does the Chemistry Lookup tool do?
Look up chemical compounds, elements, safety data sheets, and molecular properties.
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