Consensus flow list

Identity

Type
NeutralMolecule
CAS
127-00-4
EC
204-819-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1-chloropropan-2-ol

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YYTSGNJTASLUOY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3
IUPAC name chemrof:IUPAC_name 1-chloropropan-2-ol
Molecular formula chemrof:molecular_formula C3H7ClO
Molecular mass chemrof:molecular_mass 94.541
Monoisotopic mass chemrof:monoisotopic_mass 94.018543
SMILES string chemrof:smiles_string CC(O)CCl

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=127-00-4 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:76260 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.382 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5020285 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=77373 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1361129 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZL0FUS96WW enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.936J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31370 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2611 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q161602 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7f0f273b-c86d-4738-b56b-f148587c1b2a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
96ff470b-41ba-4d23-993a-676c57727eda Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f1f2d3bb-0a6f-40c7-a609-b23152f26ea6 Environmental → Air → Indoor EF 3.1 kg 2
847274cd-8869-47cf-aec5-edde1afa7021 Environmental → Air → Long-term EF 3.1 kg 0
91ff70d9-456e-4e8e-a521-fb38c7f31203 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
53988144-b885-44c9-82fc-dac2f31614e3 Environmental → Air → Unknown EF 3.1 kg 2
bd53170d-d885-4797-83cc-8e293b0ecdeb Environmental → Ground → Agricultural EF 3.1 kg 2
4ba43a69-07a4-449b-8f9d-b9ebdc69cf27 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e06bb176-42be-419c-a6fb-6cd955ace91b Environmental → Ground → Unknown EF 3.1 kg 2
fc03ad1a-b760-4ee9-a5d9-027892a410c1 Environmental → Water → Long-term EF 3.1 kg 0
24c7b2a5-8eaf-4119-8d76-ef501d52460b Environmental → Water → Ocean EF 3.1 kg 2
bd3e677f-c932-43e0-832f-a5ae1221f5a0 Environmental → Water → Surface water EF 3.1 kg 2
10534ea8-b48c-4d09-9d1d-1245fc427201 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-d00abf68e2300903",
  "prefLabel": [
    {
      "@value": "1-chloropropan-2-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(±)-1-Chloro-2-propanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=127-00-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Chloro-2-hydroxypropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=127-00-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Chloro-2-propanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=127-00-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Chloroisopropyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propanol, 1-chloro-",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "sec-Propylene chlorohydrin",
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    },
    {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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