Chemical & Drug Safety Lookup — PubChem + FDA

Look up any chemical or drug by name or CAS number and get molecular properties, GHS hazard classification and (optionally) FDA label, adverse events and recalls — no API key required.

What it returns

One item per compound (type: "compound"):

field	meaning
cid, title, iupacName	PubChem identity
molecularFormula, molecularWeight	composition
smiles	canonical / connectivity SMILES
xlogp, tpsa, hBondDonors, hBondAcceptors, rotatableBonds, heavyAtoms	cheminformatics descriptors
casNumbers	CAS registry numbers (auto-detected from synonyms)
synonyms	up to 30 alternative names
ghs.signalWords	GHS signal word(s) — Danger / Warning
ghs.pictograms	GHS pictogram labels (Flammable, Irritant, Health Hazard, ...)
ghs.hazardStatements	H-statements, e.g. H350: May cause cancer [Danger Carcinogenicity]
ghs.precautionaryCodes	P-codes, e.g. P210, P280
description	free-text summary (often includes toxicity notes)

Optional FDA records (one item each):

• type: "drug-label" — indications, warnings, dosage, adverse reactions
• type: "adverse-event" — FAERS adverse event reports (reactions, seriousness, country)
• type: "recall" — drug recall / enforcement reports (reason, classification, firm)

Input

{
  "queries": ["aspirin", "benzene", "71-43-2"],
  "includeGhs": true,
  "includeDescription": true,
  "includeDrugLabel": false,
  "includeAdverseEvents": false,
  "includeRecalls": false,
  "maxReports": 20
}

queries accepts names (aspirin) and CAS numbers (71-43-2).

Example output

{
  "type": "compound",
  "query": "benzene",
  "cid": 241,
  "title": "Benzene",
  "molecularFormula": "C6H6",
  "molecularWeight": 78.11,
  "smiles": "C1=CC=CC=C1",
  "casNumbers": ["71-43-2"],
  "ghs": {
    "signalWords": ["Danger"],
    "pictograms": ["Flammable", "Irritant", "Health Hazard"],
    "hazardStatements": ["H225: Highly Flammable liquid and vapor [Danger Flammable liquids]", "H350: May cause cancer [Danger Carcinogenicity]"],
    "precautionaryCodes": ["P203", "P210", "P280"]
  }
}

Use cases

• EH&S / SDS automation — build safety data sheets and GHS labels from structured data.
• Chemical e-commerce — enrich product catalogues with CAS, formula, SMILES and hazards.
• Lab / R&D — resolve a CAS number to a structure, formula and hazard profile in bulk.
• Regulatory & compliance — pull FDA labels, adverse events and recalls for a drug.
• Toxicology / pharmacovigilance — aggregate FAERS reports for signal detection.

Sources

• PubChem PUG-REST + PUG-View — https://pubchem.ncbi.nlm.nih.gov/rest/
• openFDA — https://api.fda.gov

Both are public, key-free, and served by US government agencies (NIH / FDA). No proxies needed.