Methyl, 3-trifluoromethylbenzoate

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Methyl, 3-trifluoromethylbenzoate

UUID 8e54b9e7-b650-43e4-b51e-2427cb57418a

Flow Object ID fo-9e447f66314f3d53

Source EF 3.1

Context Environmental → Water → Surface water

CAS Numbers 2557-13-3

EC Numbers 457-830-5

prefLabel

Language	Value	Provenance
`en`	`Methyl, 3-trifluoromethylbenzoate`

altLabel ⓘ

Language	Value	Provenance
`en`	`3-Trifluoromethylbenzoic acid methyl ester`
`en`	`<em>m</em>-Toluic acid, α,α,α-trifluoro-, methyl ester`
`en`	`Benzoic acid, 3-(trifluoromethyl)-, methyl ester`
`en`	`Methyl 3-trifluoromethylbenzoate`
`en`	`Methyl <em>m</em>-trifluoromethylbenzoate`

References

Shared Properties

Predicate	Value
InChIKey	`FZQMPENIEFPXAB-UHFFFAOYSA-N, QQHNNQCWKYFNAC-UHFFFAOYSA-N`
InChI	`InChI=1S/C9H18N2/c1-2-11-6-8-4-3-5-10-9(8)7-11/h8-10H,2-7H2,1H3, InChI=1S/C9H7F3O2/c1-14-8(13)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3`
IUPAC name	`3-(trifluoromethyl)benzoic acid methyl ester, 6-ethyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine, methyl 3-(trifluoromethyl)benzoate`
Molecular formula	`C9H18N2, C9H7F3O2`
SMILES	`CCN1CC2CCCNC2C1, COC(=O)C1=CC(=CC=C1)C(F)(F)F`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`8e54b9e7-b650-43e4-b51e-2427cb57418a`	methyl, 3-trifluoromethylbenzoate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	methyl, 3-trifluoromethylbenzoate	Emissions/Emissions to water/Emissions to fresh water	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=methyl,3-trifluoromethylbenzoate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=2557-13-3; added Common Chemistry CAS names as altLabel: 3-Trifluoromethylbenzoic acid methyl ester, <em>m</em>-Toluic acid, α,α,α-trifluoro-, methyl ester, Benzoic acid, 3-(trifluoromethyl)-, methyl ester, Methyl 3-trifluoromethylbenzoate, Methyl <em>m</em>-trifluoromethylbenzoate; object_uuid=fo-9e447f66314f3d53
`cas_match_labels`	1	`—`	consensus_match	group_key=methyl,3-trifluoromethylbenzoate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'2557-13-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e447f66314f3d53: {'2557-13-3': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Surface water

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '3-Trifluoromethylbenzoic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2557-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=2557-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Toluic acid, α,α,α-trifluoro-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2557-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=2557-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 3-(trifluoromethyl)-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2557-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=2557-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 3-trifluoromethylbenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2557-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=2557-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl <em>m</em>-trifluoromethylbenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2557-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=2557-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=methyl,3-trifluoromethylbenzoate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=2557-13-3; added Common Chemistry CAS names as altLabel: 3-Trifluoromethylbenzoic acid methyl ester, <em>m</em>-Toluic acid, α,α,α-trifluoro-, methyl ester, Benzoic acid, 3-(trifluoromethyl)-, methyl ester, Methyl 3-trifluoromethylbenzoate, Methyl <em>m</em>-trifluoromethylbenzoate; object_uuid=fo-9e447f66314f3d53
`cas_match_labels`	`None`	`{'2557-13-3': 'exactMatch'}`	group_key=methyl,3-trifluoromethylbenzoate\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'2557-13-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e447f66314f3d53: {'2557-13-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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