Consensus flow list

Identity

Type
NeutralMolecule
CAS
13501-76-3
EC
236-828-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for (4-chloro-1,1-diethoxybutyl)silane

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KEZMLECYELSZDC-UHFFFAOYSA-N, PGOBLSHQPLVMNX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H19ClO2Si/c1-3-10-8(11-4-2)12-7-5-6-9/h8H,3-7,12H2,1-2H3
IUPAC name chemrof:IUPAC_name (3-Chloropropyl)diethoxymethylsilane
Molecular formula chemrof:molecular_formula C8H19ClO2Si
SMILES string chemrof:smiles_string CCOC(OCC)[SiH2]CCCCl

Known URLs

6

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=13501-76-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.033.465 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00159204 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/95WZX4A6PF enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/83536 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72458028 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a3dcdd26-aa32-4a47-a67a-366e9ab0a310 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
85569445-fa9d-42bc-9b61-6dd55de5fb35 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c62b8a65-82b0-4da4-9191-e3eb68bb1b26 Environmental → Air → Indoor EF 3.1 kg 4
070ac461-3e27-48ee-b23b-3c4cb05270f0 Environmental → Air → Long-term EF 3.1 kg 0
b295e53f-3063-46bd-a0e9-ec08154bb208 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1e98c03b-ebc1-4018-9c2d-598073c04a95 Environmental → Air → Unknown EF 3.1 kg 4
a4892927-508c-44a9-98fa-cd39dc8eeecc Environmental → Ground → Agricultural EF 3.1 kg 4
156b9d86-2dd7-4a62-9fbf-c3738248474c Environmental → Ground → Non-agricultural EF 3.1 kg 4
cc06af31-1261-4e32-99b2-e457e93683c7 Environmental → Ground → Unknown EF 3.1 kg 4
69357a0f-e863-4e11-8925-73f26f4c1637 Environmental → Water → Long-term EF 3.1 kg 0
dd73c851-2bef-4f82-b2f9-99a1acbe1649 Environmental → Water → Ocean EF 3.1 kg 4
eaef8786-f8e0-436e-b78a-b11f02cc3f7c Environmental → Water → Surface water EF 3.1 kg 4
2fdda014-4ae5-4584-a30c-0ba729e38125 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
{
  "flow_object_id": "fo-821d0f036a007cdb",
  "prefLabel": [
    {
      "@value": "(4-chloro-1,1-diethoxybutyl)silane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(3-Chloropropyl)diethoxymethylsilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13501-76-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(γ-Chloropropyl)diethoxymethylsilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13501-76-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Chloropropylmethyldiethoxysilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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      }
    },
    {
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      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Silane, (3-chloropropyl)diethoxymethyl-",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C8H19ClO2Si"
      ],
      "attested_by": {
        "C8H19ClO2Si": [
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        ]
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        },
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      ]
    },
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      "provenance": [
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          ]
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      ],
      "provenance": [
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          ]
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C8H19ClO2Si/c1-3-10-8(11-4-2)12-7-5-6-9/h8H,3-7,12H2,1-2H3": [
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "(3-Chloropropyl)diethoxymethylsilane"
      ],
      "provenance": {
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        ]
      },
      "attested_by": {
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      }
    }
  },
  "references": [
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    },
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "070ac461-3e27-48ee-b23b-3c4cb05270f0",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "rdfs:seeAlso": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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