Methyl, 3-trifluoromethylbenzoate

3-Trifluoromethylbenzoic acid methyl ester
Benzoic acid, 3-(trifluoromethyl)-, methyl ester
m-Toluic acid, α,α,α-trifluoro-, methyl ester
Methyl 3-trifluoromethylbenzoate
Methyl m-trifluoromethylbenzoate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	QQHNNQCWKYFNAC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H7F3O2/c1-14-8(13)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3
IUPAC name chemrof:IUPAC_name	Methyl, 3-trifluoromethylbenzoate
Molecular formula chemrof:molecular_formula	C9H7F3O2
Molecular mass chemrof:molecular_mass	204.147
Monoisotopic mass chemrof:monoisotopic_mass	204.039814
SMILES string chemrof:smiles_string	COC(=O)c1cccc(C(F)(F)F)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=2557-13-3	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.104.595	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.132.778	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID10334282	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X4KFZ8W2X2	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J461.265E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/520213	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72491978	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
1cb08125-ef92-4a04-89f3-77d60a9e4007	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
b096a977-00bb-4590-a2cd-76bbb3f13996	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
cf2fb80c-d39c-44f6-b46d-16666f550841	Environmental → Air → Indoor	EF 3.1	kg	4
8bdfcbf7-f658-4380-926f-f3f8c8e5cfad	Environmental → Air → Long-term	EF 3.1	kg	0
a35f806c-ac74-4451-ae8c-004eba4a1d2d	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
ed8da7cf-7113-4df8-b7c9-2eacab143729	Environmental → Air → Unknown	EF 3.1	kg	4
d83ce89c-49bc-4ed8-8d72-bf1e76eea049	Environmental → Ground → Agricultural	EF 3.1	kg	4
a5215a4d-f3a5-46c5-b1af-3e92da55d2af	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
edefc449-60f1-4dbd-b170-2485a659ef94	Environmental → Ground → Unknown	EF 3.1	kg	4
feb42ae8-78a4-43d4-b8e3-f329798b810e	Environmental → Water → Long-term	EF 3.1	kg	0
472a1758-9706-4fc5-94bd-9343899fac2f	Environmental → Water → Ocean	EF 3.1	kg	4
8e54b9e7-b650-43e4-b51e-2427cb57418a	Environmental → Water → Surface water	EF 3.1	kg	4
88225a35-e7b0-4b50-8ad0-a8cba9a9f217	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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}

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Methyl, 3-trifluoromethylbenzoate

Identity

Structure

Alternative labels

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