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Methyl 2-cyano-3-(2,2-difluorobenzo[d][1,3]dioxol-4-yl)acrylate

UUID 010a12dd-3077-4c21-9e10-6982f8ce4082
Flow Object IDfo-d570e9d73d7f12a7
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 1333488-95-1
EC Numbers 700-526-7
prefLabel
Language Value Provenance
en Methyl 2-cyano-3-(2,2-difluorobenzo[d][1,3]dioxol-4-yl)acrylate
altLabel ⓘ
Language Value Provenance
en 2-Propenoic acid, 2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-, methyl ester
en Methyl 2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-propenoate
en Methyl (2e)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)prop-2-enoate
References
Shared Properties
Predicate Value
InChIKey CDKRRBYJCYFHFJ-VMPITWQZSA-N
InChI InChI=1S/C12H7F2NO4/c1-17-11(16)8(6-15)5-7-3-2-4-9-10(7)19-12(13,14)18-9/h2-5H,1H3/b8-5+
IUPAC name (E)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-propenoic acid methyl ester, (E)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)acrylic acid methyl ester, methyl (E)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)prop-2-enoate, methyl (E)-3-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-2-cyano-prop-2-enoate
Molecular formula C12H7F2NO4
SMILES COC(=O)/C(=C/C1=C2C(=CC=C1)OC(O2)(F)F)/C#N, COC(=O)C(=CC1=C2C(=CC=C1)OC(O2)(F)F)C#N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 010a12dd-3077-4c21-9e10-6982f8ce4082 methyl (2e)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)prop-2-enoate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 methyl (2e)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)prop-2-enoate Emissions/Emissions to air/Emissions to air, indoor 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(2e)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)prop-2-enoate||dimension=Environmental > media=Air > indoor=Unknown; cas=1333488-95-1; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-, methyl ester, Methyl 2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-propenoate; object_uuid=fo-d570e9d73d7f12a7
cas_match_labels 1 — consensus_match group_key=methyl(2e)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)prop-2-enoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'1333488-95-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d570e9d73d7f12a7: {'1333488-95-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2-Propenoic acid, 2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1333488-95-1', 'https://commonchemistry.cas.org/detail?cas_rn=1333488-95-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-propenoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1333488-95-1', 'https://commonchemistry.cas.org/detail?cas_rn=1333488-95-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=methyl(2e)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)prop-2-enoate||dimension=Environmental > media=Air > indoor=Unknown; cas=1333488-95-1; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-, methyl ester, Methyl 2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-propenoate; object_uuid=fo-d570e9d73d7f12a7
cas_match_labels None {'1333488-95-1': 'exactMatch'} group_key=methyl(2e)-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)prop-2-enoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=[]; cas_sources={'1333488-95-1': []}; assigned CAS labels from group consensus; object_uuid=fo-d570e9d73d7f12a7: {'1333488-95-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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