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2-methylpropanoyl Chloride

UUID ddc5de1d-3d02-4cda-bd1f-9e4db828c93f
Flow Object IDfo-d041a12409950262
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 79-30-1
EC Numbers 201-194-1
prefLabel
Language Value Provenance
en 2-methylpropanoyl Chloride
altLabel
Language Value Provenance
en 2,2-Dimethylacetyl chloride
en 2-Methylpropanoic acid chloride
en 2-Methylpropionyl chloride
en 2-Propylcarbonyl chloride
en Chloro isopropyl ketone
en Dimethylacetyl chloride
en Isobutanoyl chloride
en Isobutyric acid chloride
en Isobutyroyl chloride
en Isobutyryl chloride
en Isopropanecarbonyl chloride
en Propanoyl chloride, 2-methyl-
en i-Butyryl chloride
en α-Methylpropionyl chloride
References
Shared Properties
Predicate Value
InChIKey DGMOBVGABMBZSB-UHFFFAOYSA-N, GAUHBBJWYNSIJC-UHFFFAOYSA-N
InChI InChI=1S/C13H13N3O2/c1-2-18-12(17)10-8-15-13(14)16-11(10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,14,15,16), InChI=1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3
IUPAC name 2-amino-4-phenyl-5-pyrimidinecarboxylic acid ethyl ester, 2-amino-4-phenyl-pyrimidine-5-carboxylic acid ethyl ester, 2-methylpropanoyl chloride, 2-methylpropionyl chloride, ethyl 2-amino-4-phenyl-pyrimidine-5-carboxylate, ethyl 2-amino-4-phenylpyrimidine-5-carboxylate, ethyl 2-azanyl-4-phenyl-pyrimidine-5-carboxylate
Molecular formula C13H13N3O2, C4H7ClO
SMILES CC(C)C(=O)Cl, CCOC(=O)C1=CN=C(N=C1C2=CC=CC=C2)N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 ddc5de1d-3d02-4cda-bd1f-9e4db828c93f 2-methylpropanoyl chloride

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-methylpropanoyl chloride Emissions/Emissions to water/Emissions to sea 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=2-methylpropanoylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=79-30-1; added Common Chemistry CAS names as altLabel: 2,2-Dimethylacetyl chloride, 2-Methylpropanoic acid chloride, 2-Methylpropionyl chloride, 2-Propylcarbonyl chloride, Chloro isopropyl ketone, Dimethylacetyl chloride, Isobutanoyl chloride, Isobutyric acid chloride, Isobutyroyl chloride, Isobutyryl chloride, Isopropanecarbonyl chloride, Propanoyl chloride, 2-methyl-, i-Butyryl chloride, α-Methylpropionyl chloride; object_uuid=fo-d041a12409950262
cas_match_labels 1 consensus_match group_key=2-methylpropanoylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'79-30-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d041a12409950262: {'79-30-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2,2-Dimethylacetyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-30-1', 'https://commonchemistry.cas.org/detail?cas_rn=79-30-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methylpropanoic acid chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-30-1', 'https://commonchemistry.cas.org/detail?cas_rn=79-30-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methylpropionyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-30-1', 'https://commonchemistry.cas.org/detail?cas_rn=79-30-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Propylcarbonyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-30-1', 'https://commonchemistry.cas.org/detail?cas_rn=79-30-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chloro isopropyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-30-1', 'https://commonchemistry.cas.org/detail?cas_rn=79-30-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethylacetyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-30-1', 'https://commonchemistry.cas.org/detail?cas_rn=79-30-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isobutanoyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-30-1', 'https://commonchemistry.cas.org/detail?cas_rn=79-30-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isobutyric acid chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-30-1', 'https://commonchemistry.cas.org/detail?cas_rn=79-30-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isobutyroyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-30-1', 'https://commonchemistry.cas.org/detail?cas_rn=79-30-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isobutyryl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-30-1', 'https://commonchemistry.cas.org/detail?cas_rn=79-30-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isopropanecarbonyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-30-1', 'https://commonchemistry.cas.org/detail?cas_rn=79-30-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoyl chloride, 2-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-30-1', 'https://commonchemistry.cas.org/detail?cas_rn=79-30-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'i-Butyryl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-30-1', 'https://commonchemistry.cas.org/detail?cas_rn=79-30-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Methylpropionyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-30-1', 'https://commonchemistry.cas.org/detail?cas_rn=79-30-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-methylpropanoylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=79-30-1; added Common Chemistry CAS names as altLabel: 2,2-Dimethylacetyl chloride, 2-Methylpropanoic acid chloride, 2-Methylpropionyl chloride, 2-Propylcarbonyl chloride, Chloro isopropyl ketone, Dimethylacetyl chloride, Isobutanoyl chloride, Isobutyric acid chloride, Isobutyroyl chloride, Isobutyryl chloride, Isopropanecarbonyl chloride, Propanoyl chloride, 2-methyl-, i-Butyryl chloride, α-Methylpropionyl chloride; object_uuid=fo-d041a12409950262
cas_match_labels None {'79-30-1': 'exactMatch'} group_key=2-methylpropanoylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'79-30-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d041a12409950262: {'79-30-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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