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3-chloropropyltrimethoxysilane

fo-f026bc8ce34e2e57

Identity

Type
Neutral molecule
CAS
2530-87-2
EC
219-787-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-chloropropyltrimethoxysilane

Alternative labels

15

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OXYZDRAJMHGSMW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H15ClO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3
IUPAC name chemrof:IUPAC_name 3-chloropropyltrimethoxysilane
Molecular formula chemrof:molecular_formula C6H15ClO3Si
Molecular mass chemrof:molecular_mass 198.722
Monoisotopic mass chemrof:monoisotopic_mass 198.047899
SMILES string chemrof:smiles_string CO[Si](CCCCl)(OC)OC

Known URLs

11

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=163219-73-6 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=2530-87-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.989 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4027490 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=83878 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184213 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/T21BNL1S7F enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J121.171D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62449 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/2368125 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q27289563 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
aedfcd3a-bd16-4fd9-a210-5b8cad4d3030 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ff817a82-c096-4749-b847-ddf9993df66d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0b614634-2552-40bc-9179-ab64d6ed73b9 Environmental → Air → Indoor EF 3.1 kg 4
8bcd16c0-b90d-4c53-9236-568c5247d30a Environmental → Air → Long-term EF 3.1 kg 0
ec5e32dd-c28c-4e7d-b633-4cbc5fae2ddf Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
49776c55-86c2-450e-a289-48765646833b Environmental → Air → Unknown EF 3.1 kg 4
64a67119-3bbb-42f8-b291-744023947d32 Environmental → Ground → Agricultural EF 3.1 kg 4
9a5ad449-615b-4f7e-bb68-4134a34edcab Environmental → Ground → Non-agricultural EF 3.1 kg 4
36549049-3647-479f-a61b-6d4cac98023a Environmental → Ground → Unknown EF 3.1 kg 4
fc493eb4-e6ba-4f86-a5dd-7efc52b85583 Environmental → Water → Long-term EF 3.1 kg 0
0ce585a9-be20-4fa7-b38f-fcfb57b5c322 Environmental → Water → Ocean EF 3.1 kg 4
3b01476d-5709-47a7-9d1e-e7ca5a5f7f5c Environmental → Water → Surface water EF 3.1 kg 4
71cf6221-627c-4a41-8560-e0229df3aee7 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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          "CID:62449;CAS:2530-87-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2530-87-2]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0b614634-2552-40bc-9179-ab64d6ed73b9",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "2530-87-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=2530-87-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=2530-87-2"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "219-787-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=219-787-9"
      ],
      "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,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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