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2,3-dichloro-1-propanol

fo-61be65b8a0eba8de

Identity

Type
Neutral molecule
CAS
616-23-9
EC
210-470-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
52 across every transformer

Structure

Structure diagram for 2,3-dichloro-1-propanol

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZXCYIJGIGSDJQQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2
IUPAC name chemrof:IUPAC_name 2,3-dichloro-1-propanol
Molecular formula chemrof:molecular_formula C3H6Cl2O
Molecular mass chemrof:molecular_mass 128.986
Monoisotopic mass chemrof:monoisotopic_mass 127.97957
SMILES string chemrof:smiles_string OCC(Cl)CCl

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=616-23-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.519 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2024038 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1538584 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/88I7UKE7IM enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.003A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12018 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2810 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q27269940 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
172a16b9-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
4d9a8790-3ddd-11dd-99ab-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
4d9a8790-3ddd-11dd-99aa-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-99ac-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
4d9a8790-3ddd-11dd-99a9-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
08a91e70-3ddc-11dd-90ce-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 0
4d9a8790-3ddd-11dd-99b0-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 0
4d9a8790-3ddd-11dd-99a8-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 0
4d9a8790-3ddd-11dd-99ae-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-99b1-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 0
4d9a8790-3ddd-11dd-99ad-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 0
61243aee6afc870619eb2da2ff34d6f38fc123f5 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
4d9a8790-3ddd-11dd-99af-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (52 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-61be65b8a0eba8de",
  "prefLabel": [
    {
      "@value": "2,3-dichloro-1-propanol",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(RS)-2,3-Dichloro-1-propanol",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(±)-2,3-Dichloro-1-propanol",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "1,2-Dichlorohydrin",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "1-Propanol, 2,3-dichloro-",
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    },
    {
      "@value": "2,3-Dichlorohydrin",
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    },
    {
      "@value": "2,3-Dichloropropyl alcohol",
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    },
    {
      "@value": "Glycerol 1,2-dichlorohydrin",
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      "@value": "Glycerol α,β-dichlorohydrin",
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}

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