Brightway Flows 1.0
GitHub

RDX

fo-003bd189705e0e06

Identity

Type
Neutral molecule
CAS
121-82-4
EC
204-500-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for RDX

Alternative labels

38

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XTFIVUDBNACUBN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2
IUPAC name chemrof:IUPAC_name 1,3,5-trinitro-1,3,5-triazacyclohexane
Molecular formula chemrof:molecular_formula C3H6N6O6
Molecular mass chemrof:molecular_mass 222.117
Monoisotopic mass chemrof:monoisotopic_mass 222.03488, 222.034882
SMILES string chemrof:smiles_string O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])C1

Known URLs

26

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=121-82-4 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/XY903210.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:24556 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.092 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1641 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9024142 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=312447 enrich_references.pubchem_identifier_url
gmelin gmelin:985564 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W91SSV5831 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0253161 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.368.951K enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.412.206I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.346E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8490 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#0118 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#0483 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/25142696 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26247847 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26552520 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27010164 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27285383 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27301804 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27387802 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0639 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q190020 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/RDX enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
f2157176-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
fe0acd60-3ddc-11dd-aef7-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
140da33b-b226-40ef-b6f5-b7bae4479c3b Environmental → Air → Indoor EF 3.1 kg 6
fe0acd60-3ddc-11dd-aef6-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-aef8-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
fe0acd60-3ddc-11dd-aef5-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-aef3-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
4d9a8790-3ddd-11dd-9587-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-aef4-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-aefa-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9588-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
fe0acd60-3ddc-11dd-aef9-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
fe0acd60-3ddc-11dd-aefb-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-003bd189705e0e06",
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  ],
  "altLabel": [
    {
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    },
    {
      "@value": "1,3,5-Triazine, hexahydro-1,3,5-trinitro-",
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    },
    {
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      "@value": "Composition A 3",
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    {
      "@value": "Cyclotrimethylenenitramine",
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    {
      "@value": "Hexogen",
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      "@value": "Hexogen (explosive)",
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      "@value": "Hexogen 5W",
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    },
    {
      "@value": "Hexomax",
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    },
    {
      "@value": "PBX(AF) 108",
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    },
    {
      "@value": "PBX-B 2238",
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      "@value": "PBX-L 5",
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    {
      "@value": "PBX-MC",
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    {
      "@value": "PBX-MVF",
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      "@value": "PBXN(AF) 108",
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    },
    {
      "@value": "Propellant TS 1",
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    },
    {
      "@value": "s-Triazine, hexahydro-1,3,5-trinitro-",
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    },
    {
      "@value": "sym-trimethylene trinitramine",
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    },
    {
      "@value": "T4",
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      }
    },
    {
      "@value": "trimethyleentrinitramine",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "An N-nitro compound that is 1,3,5-triazinane in which all three of the hydrogens attached to the nitrogens have been replaced by nitro groups. It is widely used in both industrial and military explosives.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_24556"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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