Bromomethyl 2,5-dimethoxyphenyl Ketone

2,5-Dimethoxyphenacyl bromide
2-Bromo-1-(2,5-dimethoxyphenyl)ethan-1-one
2-Bromo-1-(2,5-dimethoxyphenyl)ethanone
2-Bromo-2′,5′-dimethoxyacetophenone
Acetophenone, 2-bromo-2′,5′-dimethoxy-
Ethanone, 2-bromo-1-(2,5-dimethoxyphenyl)-
α-Bromo-2,5-dimethoxyacetophenone
ω-Bromo-2,5-dimethoxyacetophenone

Property	Value
InChI2D key string chemrof:inchi2d_key_string	RGQNFYVSEWDUEI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C10H11BrO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5H,6H2,1-2H3
IUPAC name chemrof:IUPAC_name	Bromomethyl 2,5-dimethoxyphenyl Ketone
Molecular formula chemrof:molecular_formula	C10H11BrO3
Molecular mass chemrof:molecular_mass	259.099
Monoisotopic mass chemrof:monoisotopic_mass	257.989156
SMILES string chemrof:smiles_string	COc1ccc(OC)c(C(=O)CBr)c1

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=1204-21-3	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.013.521	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9022152	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XV6ER0C1DT	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J149.815K	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/70997	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27294016	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
d8c66d76-8d17-401b-9028-d2dab0342ce0	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
dbf61aa0-8a10-494a-8185-5e314e1ee621	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
e2bf7140-44ff-407a-b3c9-8edab6fe0bd2	Environmental → Air → Indoor	EF 3.1	kg	2
8e855e9e-f055-45ba-a7ca-a9d11ecffaaa	Environmental → Air → Long-term	EF 3.1	kg	0
b8e9e294-17f4-458e-8b60-217f379bf33e	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
6a12e746-6c1d-442c-8191-a359b611ed74	Environmental → Air → Unknown	EF 3.1	kg	2
e708100a-34a9-4159-b468-35f27719692d	Environmental → Ground → Agricultural	EF 3.1	kg	2
d26d330d-d900-4149-93c2-c8c86cbc3053	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
60764b9e-e9c0-4d85-9a1f-7b17cef32107	Environmental → Ground → Unknown	EF 3.1	kg	2
72c6bb85-9719-48f9-88e0-68512d89bdb9	Environmental → Water → Long-term	EF 3.1	kg	0
81b8141f-d434-4430-b3f7-2ad4a0b4f415	Environmental → Water → Ocean	EF 3.1	kg	2
38f32e55-3780-4734-8fd0-df25d7d2d111	Environmental → Water → Surface water	EF 3.1	kg	2
aa9f390e-fa5f-49af-93a3-254081b8f606	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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Bromomethyl 2,5-dimethoxyphenyl Ketone

Identity

Structure

Alternative labels

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