Methyl 2,5-dichlorobenzoate

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Methyl 2,5-dichlorobenzoate

UUID f48a40fa-e687-44bf-8237-f800178d9894

Flow Object ID fo-a91e7878b3fbfbdb

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 2905-69-3

EC Numbers 220-815-7

prefLabel

Language	Value	Provenance
`en`	`Methyl 2,5-dichlorobenzoate`

altLabel ⓘ

Language	Value	Provenance
`en`	`2,5-DCBME`
`en`	`2,5-dichlorobenzoic acid methyl ester`
`en`	`Benzoic acid, 2,5-dichloro-, methyl ester`

Definitions

Language	Value	Provenance
`en`	A methyl ester resulting from the formal condensation of the carboxy group of 2,5-dichlorobenzoic acid with methanol. It as used as a plant growth regulator and fungicide for grafting of grapevines.

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`SPJQBGGHUDNAIC-UHFFFAOYSA-N`
InChI	`InChI=1S/C8H6Cl2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3`
IUPAC name	`2,5-dichlorobenzoic acid methyl ester, methyl 2,5-bis(chloranyl)benzoate, methyl 2,5-dichlorobenzoate`
Molecular formula	`C8H6Cl2O2`
Molecular mass	`205.04`
Monoisotopic mass	`203.97448`
SMILES	`COC(=O)C1=C(C=CC(=C1)Cl)Cl, COC(=O)c1cc(Cl)ccc1Cl`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`f48a40fa-e687-44bf-8237-f800178d9894`	methyl 2,5-dichlorobenzoate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	methyl 2,5-dichlorobenzoate	Emissions/Emissions to water/Emissions to water, unspecified	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=methyl2,5-dichlorobenzoate\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=2905-69-3; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,5-dichloro-, methyl ester; object_uuid=fo-a91e7878b3fbfbdb
`cas_match_labels`	1	`—`	consensus_match	group_key=methyl2,5-dichlorobenzoate\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2905-69-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a91e7878b3fbfbdb: {'2905-69-3': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	[{'@value': '2,5-DCBME', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,5-DCBME', 'http://purl.obolibrary.org/obo/CHEBI_132299', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,5-dichlorobenzoic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,5-dichlorobenzoic acid methyl ester', 'http://purl.obolibrary.org/obo/CHEBI_132299', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]	[{'@value': '2,5-DCBME', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,5-DCBME', 'http://purl.obolibrary.org/obo/CHEBI_132299', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,5-dichlorobenzoic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,5-dichlorobenzoic acid methyl ester', 'http://purl.obolibrary.org/obo/CHEBI_132299', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzoic acid, 2,5-dichloro-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2905-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=2905-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=methyl2,5-dichlorobenzoate\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=2905-69-3; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,5-dichloro-, methyl ester; object_uuid=fo-a91e7878b3fbfbdb
`cas_match_labels`	`None`	`{'2905-69-3': 'exactMatch'}`	group_key=methyl2,5-dichlorobenzoate\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2905-69-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a91e7878b3fbfbdb: {'2905-69-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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