Consensus flow list

Sec-butyl Chlorocarbonate

fo-d91a6d17e8c76155

Identity

Type
Neutral molecule
CAS
17462-58-7
EC
241-475-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sec-butyl Chlorocarbonate

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YSMHTFWPDRJCMN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H9ClO2/c1-3-4(2)8-5(6)7/h4H,3H2,1-2H3
IUPAC name chemrof:IUPAC_name Sec-butyl Chlorocarbonate
Molecular formula chemrof:molecular_formula C5H9ClO2
Molecular mass chemrof:molecular_mass 136.578
Monoisotopic mass chemrof:monoisotopic_mass 136.029107
SMILES string chemrof:smiles_string CCC(C)OC(=O)Cl

Known URLs

7

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=17462-58-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.037.689 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4051794 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J268.174I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11829505 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2742 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q72507239 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
58a9aa26-4116-4363-83ba-2b2860dbeca8 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c2755b4b-06f3-47eb-8d1e-49c29bdcd43e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a8a8c618-243c-45f5-813e-852887363fc8 Environmental → Air → Indoor EF 3.1 kg 2
b5be95c7-db70-498a-8bc7-62f618d13876 Environmental → Air → Long-term EF 3.1 kg 0
6022706b-91ce-49e4-a7a9-cf3c27767f5f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ba0a432d-97a6-4bd1-942a-7a79e547f5cc Environmental → Air → Unknown EF 3.1 kg 2
09ca1008-3c76-4174-bed4-3d779366bafc Environmental → Ground → Agricultural EF 3.1 kg 2
14deb991-8a4d-402b-bd36-6eb0036cc298 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a5d4ff47-838b-4694-ad44-9a536543cded Environmental → Ground → Unknown EF 3.1 kg 2
82266d46-2288-4940-8b54-8443d039b7aa Environmental → Water → Long-term EF 3.1 kg 0
300eb913-b756-49fe-b772-d90e8d042b3d Environmental → Water → Ocean EF 3.1 kg 2
5dbf5ccc-d88f-4979-8518-2b164ae233f7 Environmental → Water → Surface water EF 3.1 kg 2
0fd2db05-6f5d-4085-9b0b-2e31e43f4922 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-d91a6d17e8c76155",
  "prefLabel": [
    {
      "@value": "Sec-butyl Chlorocarbonate",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "1-Methylpropyl carbonochloridate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "But-2-yl chloroformate",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbonochloridic acid, 1-methylpropyl ester",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Chloroformic acid sec-butyl ester",
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        ],
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    },
    {
      "@value": "Formic acid, chloro-, sec-butyl ester",
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    },
    {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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