Isopropyl 2-bromoisobutyrate

1-Methylethyl 2-bromo-2-methylpropanoate
2-Bromo-2-methylpropanoic acid isopropyl ester
Isopropyl 2-bromo-2-methylpropanoate
Isopropyl α-bromoisobutyrate
Propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester
Propionic acid, 2-bromo-2-methyl-, isopropyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	UNZJYKKJZGIFCG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H13BrO2/c1-5(2)10-6(9)7(3,4)8/h5H,1-4H3
IUPAC name chemrof:IUPAC_name	Isopropyl 2-bromoisobutyrate
Molecular formula chemrof:molecular_formula	C7H13BrO2
Molecular mass chemrof:molecular_mass	209.083
Monoisotopic mass chemrof:monoisotopic_mass	208.009892
SMILES string chemrof:smiles_string	CC(C)OC(=O)C(C)(C)Br

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=51368-55-9	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.051.944	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID80199380	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9HPK4A7GQQ	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J261.700E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/2796293	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72485793	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
079d5d94-34a4-49da-9a91-d74ee04729d6	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
069d3a4f-da67-4574-9272-5347f2a514ce	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
6ebb248e-546f-4b9c-90e7-911409813e28	Environmental → Air → Indoor	EF 3.1	kg	2
5d282037-7e87-4eae-ac98-f2a209740129	Environmental → Air → Long-term	EF 3.1	kg	0
d6152e36-74b7-4c0b-a374-1867c14afabf	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
824edae0-508c-44c2-9e17-63084f54d065	Environmental → Air → Unknown	EF 3.1	kg	2
fad6758f-3f89-454f-8a90-69cc5f31067e	Environmental → Ground → Agricultural	EF 3.1	kg	2
35363ee6-ef40-416b-bafb-5e421195b388	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
6028db88-e2f6-47dc-8706-a22c8f87d1f3	Environmental → Ground → Unknown	EF 3.1	kg	2
d60acb63-5a28-4596-b613-65ac06f5e326	Environmental → Water → Long-term	EF 3.1	kg	0
bc3a35cd-886e-439a-829d-b69ee5bb4afe	Environmental → Water → Ocean	EF 3.1	kg	2
ce038dab-d04d-43ba-b7f8-151087112f9b	Environmental → Water → Surface water	EF 3.1	kg	2
dab62ee2-5406-4d03-8777-365638c05fa6	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
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  "altLabel": [
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}

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Isopropyl 2-bromoisobutyrate

Identity

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