4-chlorobutyl 3-chloropropanoate

Propanoic acid, 3-chloro-, 4-chlorobutyl ester
Propionic acid, 3-chloro-, 4-chlorobutyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	GEXJJRFMEPZBNW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H12Cl2O2/c8-4-1-2-6-11-7(10)3-5-9/h1-6H2
IUPAC name chemrof:IUPAC_name	4-chlorobutyl 3-chloropropanoate
Molecular formula chemrof:molecular_formula	C7H12Cl2O2
Molecular mass chemrof:molecular_mass	199.077
Monoisotopic mass chemrof:monoisotopic_mass	198.021435
SMILES string chemrof:smiles_string	O=C(CCCl)OCCCCCl

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=82530-64-1	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.130.679	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID101036463	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11275655	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q126673466	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
5272359b-7fe6-4660-8514-ef664f9ea8ab	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
44dfa395-9d45-4826-aa1a-948775df6a75	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
f0fd21f7-8088-4ded-a392-5d7658a8ebce	Environmental → Air → Indoor	EF 3.1	kg	2
59971105-9a04-4faa-9905-b9156577992e	Environmental → Air → Long-term	EF 3.1	kg	0
f1718e54-5889-4def-b21d-6be9256f859b	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
35980a52-d736-4229-8f5e-06fd1276d468	Environmental → Air → Unknown	EF 3.1	kg	2
6d37b3d8-3ee0-4c02-9d1b-b836952e57d3	Environmental → Ground → Agricultural	EF 3.1	kg	2
dad21604-1159-42b9-a1e0-2e4b8a5104b5	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
7a8c9b92-674d-481e-b9c3-ae93d405bfd4	Environmental → Ground → Unknown	EF 3.1	kg	2
c771a562-048c-43ab-94e1-e8c0999897f8	Environmental → Water → Long-term	EF 3.1	kg	0
b77af57f-a65f-4bd0-981e-bda0550e511d	Environmental → Water → Ocean	EF 3.1	kg	2
3cc11fc2-db9e-44c6-adb3-07d7bd71b8dd	Environmental → Water → Surface water	EF 3.1	kg	2
21d48b05-5c6e-46dd-8203-3eb6432ec299	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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}

4-chlorobutyl 3-chloropropanoate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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