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Ethyl Chloroacetate

UUID 45be7d0e-7d47-4040-ba33-581b27dbf7eb
Flow Object IDfo-ee5b089e30608abb
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 105-39-5
EC Numbers 203-294-0
prefLabel
Language Value Provenance
en Ethyl Chloroacetate
altLabel ⓘ
Language Value Provenance
en (Ethoxycarbonyl)methyl chloride
en 2-Chloroacetic acid ethyl ester
en Acetic acid, 2-chloro-, ethyl ester
en Acetic acid, chloro-, ethyl ester
en Chloroacetic acid ethyl ester
en Ethyl 2-chloroacetate
en Ethyl 2-monochloroacetate
en Ethyl chloracetate
en Ethyl chloroethanoate
en Ethyl monochloracetate
en Ethyl monochloroacetate
en Ethyl α-chloroacetate
en NSC 8833
References
Shared Properties
Predicate Value
InChIKey MYLSQUCMBUXWGW-UHFFFAOYSA-N, QOYMNYWFHZFXHR-UHFFFAOYSA-N, RVBUZBPJAGZHSQ-UHFFFAOYSA-M, RVBUZBPJAGZHSQ-UHFFFAOYSA-N, VEUUMBGHMNQHGO-UHFFFAOYSA-N
InChI InChI=1S/C22H24N2OS2/c25-21-19-17-12-7-13-18(17)27-20(19)23-22(24(21)16-10-5-2-6-11-16)26-14-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2, InChI=1S/C4H7ClO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7), InChI=1S/C4H7ClO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/p-1, InChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3, InChI=1S/C7H6N4O/c12-6-3-1-5(2-4-6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11)
IUPAC name 10-(benzylthio)-11-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 10-benzylsulfanyl-11-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 11-cyclohexyl-10-(phenylmethylsulfanyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 11-cyclohexyl-10-(phenylmethylthio)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 2-chloranylbutanoate, 2-chloranylbutanoic acid, 2-chloroacetic acid ethyl ester, 2-chlorobutanoate, 2-chlorobutanoic acid, 2-chlorobutyrate, 2-chlorobutyric acid, 4-(2H-1,2,3,4-tetrazol-5-yl)phenol, 4-(2H-tetrazol-5-yl)phenol, ethyl 2-chloranylethanoate, ethyl 2-chloroacetate
Molecular formula C22H24N2OS2, C4H6ClO2-, C4H7ClO2, C7H6N4O
SMILES C1=CC(=CC=C1C2=NNN=N2)O, C1CCC(CC1)N2C(=O)C3=C(N=C2SCC4=CC=CC=C4)SC5=C3CCC5, CCC(C(=O)O)Cl, CCC(C(=O)[O-])Cl, CCOC(=O)CCl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 45be7d0e-7d47-4040-ba33-581b27dbf7eb ethyl chloroacetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 ethyl chloroacetate Emissions/Emissions to air/Emissions to urban air close to ground 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=ethylchloroacetate||dimension=Environmental > media=Air > indoor=Unknown; cas=105-39-5; added Common Chemistry CAS names as altLabel: (Ethoxycarbonyl)methyl chloride, 2-Chloroacetic acid ethyl ester, Acetic acid, 2-chloro-, ethyl ester, Acetic acid, chloro-, ethyl ester, Chloroacetic acid ethyl ester, Ethyl 2-chloroacetate, Ethyl 2-monochloroacetate, Ethyl chloracetate, Ethyl chloroethanoate, Ethyl monochloracetate, Ethyl monochloroacetate, Ethyl α-chloroacetate, NSC 8833; object_uuid=fo-ee5b089e30608abb
cas_match_labels 1 — consensus_match group_key=ethylchloroacetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'105-39-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ee5b089e30608abb: {'105-39-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(Ethoxycarbonyl)methyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Chloroacetic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, 2-chloro-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, chloro-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chloroacetic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 2-chloroacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl 2-monochloroacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl chloracetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl chloroethanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl monochloracetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl monochloroacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl α-chloroacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 8833', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-39-5', 'https://commonchemistry.cas.org/detail?cas_rn=105-39-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=ethylchloroacetate||dimension=Environmental > media=Air > indoor=Unknown; cas=105-39-5; added Common Chemistry CAS names as altLabel: (Ethoxycarbonyl)methyl chloride, 2-Chloroacetic acid ethyl ester, Acetic acid, 2-chloro-, ethyl ester, Acetic acid, chloro-, ethyl ester, Chloroacetic acid ethyl ester, Ethyl 2-chloroacetate, Ethyl 2-monochloroacetate, Ethyl chloracetate, Ethyl chloroethanoate, Ethyl monochloracetate, Ethyl monochloroacetate, Ethyl α-chloroacetate, NSC 8833; object_uuid=fo-ee5b089e30608abb
cas_match_labels None {'105-39-5': 'exactMatch'} group_key=ethylchloroacetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'105-39-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ee5b089e30608abb: {'105-39-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "unit": "kg",
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