Ethyl Chloroacetate

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UUID 90b0d7b8-0f58-4f36-8f5d-a3f9e576cafa

Deprecated yes

Replaced By 141475ce-3abd-4d3a-b768-f62c6bb350df

Flow Object ID fo-ee5b089e30608abb

Source EF 3.1

Context Environmental → Water → Unknown

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	`90b0d7b8-0f58-4f36-8f5d-a3f9e576cafa`	ethyl chloroacetate

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

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

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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