Consensus flow list

Ethyl 2-chloroacetoacetate

fo-a54eaf250211ed8f

Identity

Type
Neutral molecule
CAS
609-15-4
EC
210-180-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Ethyl 2-chloroacetoacetate

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RDULEYWUGKOCMR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H9ClO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3
IUPAC name chemrof:IUPAC_name Ethyl 2-chloroacetoacetate
Molecular formula chemrof:molecular_formula C6H9ClO3
Molecular mass chemrof:molecular_mass 164.588
Monoisotopic mass chemrof:monoisotopic_mass 164.024022
SMILES string chemrof:smiles_string CCOC(=O)C(Cl)C(C)=O

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=609-15-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.256 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3049330 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=78426 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186400 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A9GFN94N9A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.802E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11858 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72473475 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
695a7741-c595-44f8-b59b-e8e000887ecf Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9950736d-5008-404e-a263-311c7c20d450 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3096def5-8632-4ca2-a7d1-2f97235bc466 Environmental → Air → Indoor EF 3.1 kg 2
f06092d8-ecfb-47c8-9d44-84fcd8da04fd Environmental → Air → Long-term EF 3.1 kg 0
27766828-b93c-4bea-8688-ea9e71117c65 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bfe019fc-49ff-483d-8540-591b0e61d919 Environmental → Air → Unknown EF 3.1 kg 2
0ecff02e-9cdf-47e8-8927-839c2a70cbc1 Environmental → Ground → Agricultural EF 3.1 kg 2
4c46b723-df15-4ffc-b1cb-be20ae5aafe6 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5e7942ba-8a10-433b-8275-fa2339585a98 Environmental → Ground → Unknown EF 3.1 kg 2
876b7fd7-6d24-46ac-be98-0cf591b2ed26 Environmental → Water → Long-term EF 3.1 kg 0
431457ea-455c-4d43-9a18-576b3048e83c Environmental → Water → Ocean EF 3.1 kg 2
262d3a7c-4461-4803-b63c-594678c08436 Environmental → Water → Surface water EF 3.1 kg 2
1d3f2e19-b163-4f78-a30f-07006738fbcb 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 
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