Consensus flow list

Identity

Type
Neutral molecule
CAS
79-30-1
EC
201-194-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-methylpropanoyl Chloride

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DGMOBVGABMBZSB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3
IUPAC name chemrof:IUPAC_name 2-methylpropanoyl Chloride
Molecular formula chemrof:molecular_formula C4H7ClO
Molecular mass chemrof:molecular_mass 106.552
Monoisotopic mass chemrof:monoisotopic_mass 106.018543
SMILES string chemrof:smiles_string CC(C)C(=O)Cl

Known URLs

9

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=79-30-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.086 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0052542 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6617F0VJZC enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.839C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62325 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2395 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27263931 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Isobutyryl_chloride enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
81b11126-1a12-42ce-87a1-22c8134495e7 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b18fe3d3-3d72-4654-9ecd-b37f937adc41 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d6431d30-bdfc-4dfe-bc96-133168075fd3 Environmental → Air → Indoor EF 3.1 kg 2
bd0f4512-1719-4ba7-ab3b-8693046df2cc Environmental → Air → Long-term EF 3.1 kg 0
650877a2-1c9f-4f46-b879-d9aa88289708 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8db1de33-3fe6-4d3a-827e-7b4d590e1448 Environmental → Air → Unknown EF 3.1 kg 2
5f25b842-dd54-4bb6-9b71-ba3bc2d470f7 Environmental → Ground → Agricultural EF 3.1 kg 2
2e03ccb5-7095-42cf-bee4-6fcabe04e843 Environmental → Ground → Non-agricultural EF 3.1 kg 2
d7bce14e-35ba-4fde-a28a-9c41cad3f8a2 Environmental → Ground → Unknown EF 3.1 kg 2
3e501a1e-7682-4d7f-ba03-6c3c26b7b1da Environmental → Water → Long-term EF 3.1 kg 0
ddc5de1d-3d02-4cda-bd1f-9e4db828c93f Environmental → Water → Ocean EF 3.1 kg 2
abd0455b-bcb1-4c09-9771-cae51fa88528 Environmental → Water → Surface water EF 3.1 kg 2
96ad593d-c60c-48a6-93f1-4cec35c6bfd8 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-d041a12409950262",
  "prefLabel": [
    {
      "@value": "2-methylpropanoyl Chloride",
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  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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