Searching, Assessment, and Screening system for safer alternative chemicals

Searching, assessment, and screening system for safer alternative chemicals, GreenN (Green Next)

    e.g.

    Chlorine

    Chemical structure of PubChem CID 24526

    Risk Level Help

    Chemical Substance Information

    • PubChem CID: 24526
    • CAS: 7782-50-5
    • UN NO: 1017
    • EC NO: 231-959-5
    • Safety Data Sheet: Link
    • SMILES: ClCl

    Hazard Assessment Overview Help

    Hazard Sunburst Chart Legend

    Hazard Assessment Summary Table Help CSV format XLSX format
    Reset


    Assessment Type Carcinogenicity Mutagenicity Reproductive Toxicity Developmental Toxicity Endocrine Disruption
    Hazard Assessment Level
    Insufficient data
    for classification
    High
    Insufficient data
    for classification
    Medium
    Insufficient data
    for classification
    Loading
    Assessment Type Acute Toxicity Systemic Toxicity - Single Dose Systemic Toxicity - Repeated Dose Neurotoxicity - Single Dose Skin Sensitization Respiratory Sensitization Skin Irritation Eye Irritation
    Hazard Assessment Level
    Very High
    Medium
    Insufficient data
    for classification
    Insufficient data
    for classification
    Insufficient data
    for classification
    Insufficient data
    for classification
    High
    High
    Loading
    Assessment Type Acute Aquatic Toxicity Chronic Aquatic Toxicity
    Hazard Assessment Level
    Very High
    Very High
    Loading
    Assessment Type Persistence Bioaccumulation
    Hazard Assessment Level
    Very High
    Insufficient data
    for classification
    Assessment Type Reactivity Flammability
    Hazard Assessment Level
    High
    Insufficient data
    for classification
    Loading

    Hazard Diagnostic Modules

    The Hazard Diagnostic Module consists of the following four computational chemistry methods. The predicted toxicity alerts are for reference only and should be evaluated together with other available data.

    1. Substructure Alerts
    2. Similarity Alerts
    3. Read-Across
    4. Classification Models

    SMARTS Pattern Endpoint Source Author Journal Reference
    Loading
    Loading
    Loading

    Physical and Chemical Properties

    Property Value Source
    Boiling Point -34.6111 °C
    As reported: -30.3 °F at 760 mmHg (EPA, 1998)
    Other sources (4)
    • -34.04 °C — Hazardous Substances Data Bank (HSDB)
    • -34 °C — ILO-WHO International Chemical Safety Cards (ICSCs)
    • -34.04 °C (-34.04 °C @760 [mm Hg]) — PAC Chemical Database, U.S. Department of Energy
    • -33.8889 °C (-29 °F) — The National Institute for Occupational Safety and Health (NIOSH)
    		CAMEO Chemicals
    Melting Point -101.111 °C
    As reported: -150 °F (EPA, 1998)
    Other sources (3)
    • -101 °C — ILO-WHO International Chemical Safety Cards (ICSCs)
    • -101.5 °C — PAC Chemical Database, U.S. Department of Energy
    • -101.111 °C (-150 °F) — The National Institute for Occupational Safety and Health (NIOSH)
    		CAMEO Chemicals
    Vapor Pressure 1013.25 kPa
    As reported: 7600 mmHg at 86 °F (EPA, 1998)
    Other sources (3)
    • 5.83X10+3 mm Hg at 25 °C — Hazardous Substances Data Bank (HSDB)
    • Vapor pressure, kPa at 20 °C: 673 — ILO-WHO International Chemical Safety Cards (ICSCs)
    • 6.8 atm — The National Institute for Occupational Safety and Health (NIOSH)
    		CAMEO Chemicals
    Solubility 0.7 % (NIOSH, 2024)
    Other sources (5)
    • 1.46 g/100 cc water at 0 °C; 310 cc/100 cc water at 10 °C; 177 cc/100 cc water at 30 °C; 0.57 g/100 cc water at 30 °C — Hazardous Substances Data Bank (HSDB)
    • Solubility in water at 25 °C with formation of aqueous Cl2 (0.062 M), HOCl (0.030 M), chloride ion (0.030 M); total solubility: 0.092 M; more soluble in alkalies — Hazardous Substances Data Bank (HSDB)
    • In water, 6,300 mg/L at 25 °C — Hazardous Substances Data Bank (HSDB)
    • Solubility in water, g/100ml at 20 °C: 0.7 — ILO-WHO International Chemical Safety Cards (ICSCs)
    • 0.7% — The National Institute for Occupational Safety and Health (NIOSH)
    		CAMEO Chemicals
    Density 1.424 at 59 °F (pressurized liquid) (USCG, 1999) - Denser than water; will sink
    Other sources (8)
    • 2.898 g/L — Hazardous Substances Data Bank (HSDB)
    • Heat capacity at constant pressure (gas, 25 °C): 8.11 cal/mol °C; critical density: 0.573; oxidizing agent; very reactive; reduction potential (aqueous): 1.356 V; dissociation energy: 57.978 kcal at 25 °C; forms halides with all elements except the rare gases helium, neon, and argon; 1.4085 (liquid) at 20 °C and 6.864 atm; 1.5649 (liquid) at -35 °C and 0.9949 atm — Hazardous Substances Data Bank (HSDB)
    • Stable isotope abundance (atom, %): Cl-35, 75.53%; Cl-37, 24.47%; critical volume: 0.001745 cu m/kg; density: 3.213 kg/cu m at 0 °C and 101.3 kPa; latent heat of vaporization, 287.75 J/g ;enthalpy of fusion: 90.33 kJ/kg; electron affinity: 3.77 eV; enthalpy of hydration of chloride ion: 405.7 kJ/mol; ionization energies: 13.01 eV; 23.80 eV; 39.9; 53.3; 67.8; 96.6, 114.2 eV; specific heat at constant pressure: 481 kJ/kg K; specific heat at constant volume: 0.357 kJ/kg K; specific magnetic susceptibility: -7.4X10-9 cu m/kg at 20 °C; electrical conductivity of liquid at-70 °C: 1X10-16 (Ohm cm)-1; dielectric constant at 0 °C (wavelengths > 10 m): 1.97 — Hazardous Substances Data Bank (HSDB)
    • Liquid; clear amber; very irritating odor; density: 1.56 at -35 °C, freezing point: -101 °C; 1 L liquid = 456.8 L gas at 0 °C and 1 atm; very low electrical conductivity; soluble in chlorides and alcohols; extremely strong oxidizing agent; slightly soluble in cold water /Liquid/ — Hazardous Substances Data Bank (HSDB)
    • Saturated vapor density: 0.95960 lb/cu ft at 50 °F — Hazardous Substances Data Bank (HSDB)
    • 1.424 at 59 °F — Occupational Safety and Health Administration (OSHA)
    • 2.898g/L — PAC Chemical Database, U.S. Department of Energy
    • 2.47(relative gas density) — The National Institute for Occupational Safety and Health (NIOSH)
    		CAMEO Chemicals

    Source: PubChem

    Safer Alternatives

    Safer alternatives are referenced from current safer chemical databases and software logic, divided into the following three categories:

    1. The system compiles industrial uses of chemicals from the US EPA ChemView database and integrates them with the US EPA Safer Chemical Ingredients to create a safer alternatives list for each chemical. Chemicals may have multiple industrial uses, so the system uses an accordion-style display. Click the 'Suggested Safer Alternatives' tab to expand the table. If the use is broad (e.g., 'Commercial use'), the list may include more specific uses (e.g., 'Solvent'). If no information is available, refer to 'By Industrial Use (Full List)' for manual filtering.
    2. Categorized by industrial use (full list). This list contains safer chemicals for industrial uses, not necessarily replacements for the chemical on this page. You may filter by industrial use via the search bar at the top right of this tab, e.g., filter by 'Antioxidants'. Source: Safer Chemical Ingredients List
    3. Categorized by structural similarity, requiring:
      • Find chemicals with similar functional groups based on structural similarity (Tanimoto coefficient ≥ 0.8), likely having similar functions.
      • Chemicals identified as lower risk by risk assessment, such as level 3, level 4, or insufficient data.
      Practical substitution feasibility still requires domain knowledge and reference to physicochemical properties. For insufficient data (U), it means current hazard and risk assessment information is limited; thus, selection should be cautious and toxicology studies should be reviewed.
    4. Based on real-world case studies. Source: OECD SAAT

    Based on substructure, the system lists chemicals with risk levels 3 (usable but safer alternatives may be sought), 4 (safer chemicals), or insufficient data (U: not enough data to determine risk level). Information

    Download: CSV format XLSX format
    Name CAS Industrial Use Safety Risk Level Data Source Notes

    Download: CSV format XLSX format
    Name CAS Industrial Use Safety Risk Level Data Source Notes

    Download: CSV format XLSX format
    Name CAS Industrial Use Safety Risk Level Data Source Notes
    Download: SCIL (CSV) SCIL (XLSX) ZeroPM PFAS (CSV) ZeroPM PFAS (XLSX) SUBSPORT+ case alternatives (CSV) SUBSPORT+ case alternatives (XLSX)
    Name CAS Industrial Use Safety Notes
    Loading
    This chemical is not listed in the ZeroPM PFAS alternative assessment database.
    SUBSPORT+ substitution case stories

    Real-world substitution cases involving this chemical, from the SUBSPORT+ case story database (English records).

    Case Role of this chemical Alternative Sector Function Implementation Reason for substitution
    Healthy business strategies for transforming the Toxic Chemical Economy Substituted Not stated Other Other other reasons
    OECD SAAT alternative case studies

    Full list of OECD SAAT case studies (not filtered by chemical).

    Case Study Name Link Publish Date Publishing Organization Related Products Description

    Contents

    1. Risk Level
    2. Chemical Substance Information
    3. Hazard Assessment Overview
    4. Hazard Assessment Summary Table
    5. Hazard Diagnostic Modules
    6. Safer Alternatives