Ethyl 2-chloroacetoacetate

2-Chloro-3-oxobutanoic acid ethyl ester
2-Chloro-3-oxobutyric acid ethyl ester
2-Chloroacetoacetic acid ethyl ester
Acetoacetic acid, 2-chloro-, ethyl ester
Butanoic acid, 2-chloro-3-oxo-, ethyl ester
Ethyl 2-chloracetoacetate
Ethyl 2-chloro-3-oxobutanoate
Ethyl 2-chloro-3-oxobutyrate
Ethyl α-chloroacetoacetate
Ethyl α-chloroacetylacetate

Property	Value
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

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	https://www.wikidata.org/wiki/Q72473475	enrich_references.pubchem_identifier_url

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

Everything that changed this substance (55 changes)

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Flow object JSON

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Ethyl 2-chloroacetoacetate

Identity

Structure

Alternative labels

Properties

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Elementary flows

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