Sigma-Aldrich · Schema

SigmaAldrichProduct

Represents a research chemical, biochemical, or laboratory supply in the Sigma-Aldrich product catalog.

Life ScienceChemistryBiochemistryLaboratoryResearchChemical Catalog

Properties

Name Type Description
catalogNumber string Sigma-Aldrich catalog number uniquely identifying this product
name string Official product name
description string Product description including key applications and specifications
brand string Sigma-Aldrich brand under which this product is sold
casNumber string Chemical Abstracts Service (CAS) Registry Number
formula string Molecular formula using Hill notation (e.g., C2H6O for ethanol)
molecularWeight number Molecular weight in g/mol
smiles string Simplified Molecular Input Line Entry System (SMILES) notation
inchi string IUPAC International Chemical Identifier (InChI)
inchiKey string Hashed InChI key for chemical structure identification
purity string Purity specification (e.g., ≥99.5%, ACS reagent grade)
grade string Product grade designation (e.g., ACS reagent, BioReagent, HPLC Plus, ReagentPlus)
synonyms array Alternative names, IUPAC names, and common names for the product
physicalState string Physical state at standard conditions (25°C, 1 atm)
packagingOptions array Available package sizes and container types
View JSON Schema on GitHub

JSON Schema

sigma-aldrich-product-schema.json Raw ↑
{
  "$schema": "https://json-schema.org/draft/2020-12/schema",
  "$id": "https://api.sigmaaldrich.com/schemas/product",
  "title": "SigmaAldrichProduct",
  "description": "Represents a research chemical, biochemical, or laboratory supply in the Sigma-Aldrich product catalog.",
  "type": "object",
  "required": ["catalogNumber", "name"],
  "properties": {
    "catalogNumber": {
      "type": "string",
      "description": "Sigma-Aldrich catalog number uniquely identifying this product"
    },
    "name": {
      "type": "string",
      "description": "Official product name"
    },
    "description": {
      "type": "string",
      "description": "Product description including key applications and specifications"
    },
    "brand": {
      "type": "string",
      "enum": ["Sigma", "Aldrich", "Fluka", "Supelco", "Honeywell", "Riedel-de Haën"],
      "description": "Sigma-Aldrich brand under which this product is sold"
    },
    "casNumber": {
      "type": "string",
      "pattern": "^\\d{1,7}-\\d{2}-\\d{1}$",
      "description": "Chemical Abstracts Service (CAS) Registry Number"
    },
    "formula": {
      "type": "string",
      "description": "Molecular formula using Hill notation (e.g., C2H6O for ethanol)"
    },
    "molecularWeight": {
      "type": "number",
      "minimum": 0,
      "description": "Molecular weight in g/mol"
    },
    "smiles": {
      "type": "string",
      "description": "Simplified Molecular Input Line Entry System (SMILES) notation"
    },
    "inchi": {
      "type": "string",
      "description": "IUPAC International Chemical Identifier (InChI)"
    },
    "inchiKey": {
      "type": "string",
      "pattern": "^[A-Z]{14}-[A-Z]{10}-[A-Z]$",
      "description": "Hashed InChI key for chemical structure identification"
    },
    "purity": {
      "type": "string",
      "description": "Purity specification (e.g., ≥99.5%, ACS reagent grade)"
    },
    "grade": {
      "type": "string",
      "description": "Product grade designation (e.g., ACS reagent, BioReagent, HPLC Plus, ReagentPlus)"
    },
    "synonyms": {
      "type": "array",
      "items": {
        "type": "string"
      },
      "description": "Alternative names, IUPAC names, and common names for the product"
    },
    "physicalState": {
      "type": "string",
      "enum": ["solid", "liquid", "gas"],
      "description": "Physical state at standard conditions (25°C, 1 atm)"
    },
    "packagingOptions": {
      "type": "array",
      "description": "Available package sizes and container types",
      "items": {
        "type": "object",
        "properties": {
          "packSize": {
            "type": "string",
            "description": "Package size (e.g., 100g, 500mL, 1kg)"
          },
          "packagingType": {
            "type": "string",
            "description": "Container type (e.g., glass bottle, ampule, vial, drum)"
          }
        }
      }
    }
  }
}