1,1,3-trichloroacetone

1,1,2-Trichloroacetone
1,1,3-Trichloro-2-propanone
2-Propanone, 1,1,3-trichloro-
α,α′,α′-Trichloroacetone

Property	Value
InChI2D key string chemrof:inchi2d_key_string	ZWILTCXCTVMANU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C3H3Cl3O/c4-1-2(7)3(5)6/h3H,1H2
IUPAC name chemrof:IUPAC_name	1,1,3-trichloroacetone
Molecular formula chemrof:molecular_formula	C3H3Cl3O
Molecular mass chemrof:molecular_mass	161.415
Monoisotopic mass chemrof:monoisotopic_mass	159.924948
SMILES string chemrof:smiles_string	O=C(CCl)C(Cl)Cl

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=921-03-9	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.011.876	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID4021680	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183118	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8N0B05BDRQ	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J69.886E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/13530	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27270768	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
0124200d-c5e4-4e6d-b4f6-8222c711b102	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
c898ae34-bd39-4a4b-b8cb-6e309f67a7d7	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
0e84492a-ad9f-4c12-89b3-e921fb98cd11	Environmental → Air → Indoor	EF 3.1	kg	2
a2bcf55c-7ddb-4e33-b6e0-de3cd847eaad	Environmental → Air → Long-term	EF 3.1	kg	0
03795132-6725-4b47-b78c-a9785598e46f	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
ce9aaad1-3407-4582-b450-7e2996d5d54e	Environmental → Air → Unknown	EF 3.1	kg	2
10767323-872e-4e82-bd6e-145f9aa36436	Environmental → Ground → Agricultural	EF 3.1	kg	2
aa924e13-864a-4dce-8d0e-a86440fb718c	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
1be43592-fc56-4cdd-b683-de42ca195849	Environmental → Ground → Unknown	EF 3.1	kg	2
6df8230e-cb52-47f4-92ff-98c2a35dbdaa	Environmental → Water → Long-term	EF 3.1	kg	0
872631a0-a6ef-4703-9ce9-e389d58dbe14	Environmental → Water → Ocean	EF 3.1	kg	2
7ef45b19-5296-418a-b1c3-e17d32492ba7	Environmental → Water → Surface water	EF 3.1	kg	2
a3db9eb2-8094-4097-af72-6421d0c0cace	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

{
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1,1,3-trichloroacetone

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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