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1,3-dichloropropan-2-ol

fo-84088f12bfe8998c

Identity

Type
Neutral molecule
CAS
96-23-1
EC
202-491-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,3-dichloropropan-2-ol

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DEWLEGDTCGBNGU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2
IUPAC name chemrof:IUPAC_name 1,3-dichloropropan-2-ol
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 OC(CCl)CCl

Known URLs

25

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=96-23-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:18917 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.266 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1711 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6025010 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=70982 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL468581 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0F4P2VQC07 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244163 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.964K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14399 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14399 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51277 enrich_references.pubchem_identifier_url
patent patent:RU2263656 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7289 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2750 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/12110283 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17524555 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19047007 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19731046 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20113855 enrich_references.chebi_xrefs
reaxys reaxys:1732063 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0018 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q10843705 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,3-Dichloropropan-2-ol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bfe23c12-6915-483b-a865-c9236d505d77 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
afea5239-4ae9-420c-bd96-a9bb95df420d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2740f69a-5776-4dc5-954b-8c5834b1a662 Environmental → Air → Indoor EF 3.1 kg 2
0b40379e-cc3a-4c5f-a533-6c08171bac65 Environmental → Air → Long-term EF 3.1 kg 0
b4e0f746-03a7-49ef-aac1-9be7a417d221 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c4903741-b505-4401-9aac-fe489e2bc759 Environmental → Air → Unknown EF 3.1 kg 2
5790def2-cf17-460a-b290-178b2629aa81 Environmental → Ground → Agricultural EF 3.1 kg 2
4bd7fe27-3922-432c-a75f-f4898b564b62 Environmental → Ground → Non-agricultural EF 3.1 kg 2
32262c78-8cee-4826-80b0-15c584455352 Environmental → Ground → Unknown EF 3.1 kg 2
e0b6d5e7-b8ff-4e15-8cd0-04bc822cb4be Environmental → Water → Long-term EF 3.1 kg 0
728f1ca5-82a8-4c2e-a08f-f1d2fd8beec3 Environmental → Water → Ocean EF 3.1 kg 2
c87bcd0d-0779-478d-93a6-445b0bf3d83e Environmental → Water → Surface water EF 3.1 kg 2
2ba9604e-3137-409b-b8ec-92d9daee72e7 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-84088f12bfe8998c",
  "prefLabel": [
    {
      "@value": "1,3-dichloropropan-2-ol",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-dichloro-1,3-dideoxyglycerol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,3-dichloro-2-hydroxypropane",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,3-Dichloro-2-propanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "1,3-dichlorohydrin",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,3-dichloroisopropanol",
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    {
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    {
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      }
    },
    {
      "@value": "2-Propanol, 1,3-dichloro-",
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    },
    {
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