2-chloropropanoic Acid

(RS)-2-Chloropropanoic acid
(RS)-2-Chloropropionic acid
(RS)-α-Chloropropionic acid
DL-2-Chloropropionic acid
Propanoic acid, 2-chloro-
Propionic acid, 2-chloro-
Propionic acid, α-chloro-
α-Chloropropionic acid

Property	Value
InChI2D key string chemrof:inchi2d_key_string	GAWAYYRQGQZKCR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
IUPAC name chemrof:IUPAC_name	2-chloropropanoic Acid
Molecular formula chemrof:molecular_formula	C3H5ClO2
Molecular mass chemrof:molecular_mass	108.524
Monoisotopic mass chemrof:monoisotopic_mass	107.997807
SMILES string chemrof:smiles_string	CC(Cl)C(=O)O

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=598-78-7	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.009.049	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0644	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0021545	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=173	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=401806	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1743205	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ADV1WUE1NB	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0245078	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J481B	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.220E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11734	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2511	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q209361	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/2-Chloropropionic_acid	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
ad612d31-afdf-4d7f-b741-b4227833dc2f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
38dac27e-5eda-4393-b975-e7c7ad9ae442	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
9ea695e0-8b7b-472c-94f2-98cc122cf873	Environmental → Air → Indoor	EF 3.1	kg	2
9aa5b1f2-7368-4d70-b96f-543f4839f29f	Environmental → Air → Long-term	EF 3.1	kg	0
1abac5ca-2317-40a1-b1ef-a69b40f702d3	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
c79b69ee-9c48-4488-b595-2d394ddd7ed2	Environmental → Air → Unknown	EF 3.1	kg	2
2b8040da-d4c8-45a7-994e-fe3a4275ff01	Environmental → Ground → Agricultural	EF 3.1	kg	2
e15868f9-a592-475c-9863-b0fadbee8cb2	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
7aaa7163-b5c1-43c1-ba18-efcddd36d1be	Environmental → Ground → Unknown	EF 3.1	kg	2
fc065722-4998-4bd5-8aed-2517e22994fc	Environmental → Water → Long-term	EF 3.1	kg	0
e6149911-a7aa-42e7-a74a-03307411483c	Environmental → Water → Ocean	EF 3.1	kg	2
4a731c9c-56f9-46fb-82a6-5060efb5b52f	Environmental → Water → Surface water	EF 3.1	kg	2
05f6a7db-ab8c-47ea-919d-664ddb4f4999	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "209-952-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=209-952-3"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

2-chloropropanoic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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