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2-chloro-1-phenylethanone

2D structure
UUID 4d9a8790-3ddd-11dd-8c9f-0050c2490048
Deprecated yes
Replaced By 4d9a8790-3ddd-11dd-8ca0-0050c2490048
Flow Object IDfo-a8cac37e9a35adf2
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 532-27-4
EC Numbers 208-531-1
prefLabel
Language Value Provenance
en 2-chloro-1-phenylethanone
altLabel
Language Value Provenance
en (2-Chloro-1-oxoethyl)benzene
en (Chloroacetyl)benzene
en 1-Phenyl-2-chloro-1-ethanone
en 2-Chloro-1-phenyl-1-ethanone
en 2-Chloroacetophenone
en Acetophenone, 2-chloro-
en Acetophenone, α-chloro-
en Agent CNB
en Agent CNC
en Benzoylmethyl chloride
en CAF
en CAP
en CN
en CN (lacrimator)
en CNB
en CNB (chemical warfare agent)
en CNC
en Chloracetophenone
en Chloroacetophenone
en Chloromethyl phenyl ketone
en Ethanone, 2-chloro-1-phenyl-
en Mace
en Mace (lacrimator)
en NSC 41666
en Phenacyl chloride
en Phenyl chloromethyl ketone
en α-Chloroacetophenone
en ω-Chloroacetophenone
References
Shared Properties
Predicate Value
InChIKey GQGJHXSBNABNAT-UHFFFAOYSA-N, IMACFCSSMIZSPP-UHFFFAOYSA-N
InChI InChI=1S/C27H51NO4S2/c1-3-5-9-13-23-25(33-23)22-26-24(34-26)14-10-7-6-8-11-15-27(29)28-16-12-17-31-20-21-32-19-18-30-4-2/h23-26H,3-22H2,1-2H3,(H,28,29), InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
IUPAC name 2-chloranyl-1-phenyl-ethanone, 2-chloro-1-phenyl-ethanone, 2-chloro-1-phenylethanone, 8-[3-[(3-amylthiiran-2-yl)methyl]thiiran-2-yl]-N-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]caprylamide, N-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-8-[3-[(3-pentyl-2-thiiranyl)methyl]-2-thiiranyl]octanamide, N-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-8-[3-[(3-pentylthiiran-2-yl)methyl]thiiran-2-yl]octanamide
Molecular formula C27H51NO4S2, C8H7ClO
Molecular mass 154.596
Monoisotopic mass 154.018543
SMILES C1=CC=C(C=C1)C(=O)CCl, CCCCCC1C(S1)CC2C(S2)CCCCCCCC(=O)NCCCOCCOCCOCC, O=C(CCl)c1ccccc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4d9a8790-3ddd-11dd-8c9f-0050c2490048 2-chloro-1-phenylethanone

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-chloro-1-phenylethanone||dimension=Environmental > media=Ground > geography=Unknown; cas=532-27-4; added Common Chemistry CAS names as altLabel: (2-Chloro-1-oxoethyl)benzene, (Chloroacetyl)benzene, 1-Phenyl-2-chloro-1-ethanone, 2-Chloro-1-phenyl-1-ethanone, 2-Chloroacetophenone, Acetophenone, 2-chloro-, Acetophenone, α-chloro-, Agent CNB, Agent CNC, Benzoylmethyl chloride, CAF, CAP, CN, CN (lacrimator), CNB, CNB (chemical warfare agent), CNC, Chloracetophenone, Chloroacetophenone, Chloromethyl phenyl ketone, Ethanone, 2-chloro-1-phenyl-, Mace, Mace (lacrimator), NSC 41666, Phenacyl chloride, Phenyl chloromethyl ketone, α-Chloroacetophenone, ω-Chloroacetophenone; object_uuid=fo-a8cac37e9a35adf2
cas_match_labels 1 consensus_match group_key=2-chloro-1-phenylethanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'532-27-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a8cac37e9a35adf2: {'532-27-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(2-Chloro-1-oxoethyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(Chloroacetyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Phenyl-2-chloro-1-ethanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Chloro-1-phenyl-1-ethanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Chloroacetophenone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetophenone, 2-chloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetophenone, α-chloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Agent CNB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Agent CNC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoylmethyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CAF', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CAP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CN (lacrimator)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CNB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CNB (chemical warfare agent)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CNC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chloracetophenone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chloroacetophenone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chloromethyl phenyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethanone, 2-chloro-1-phenyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Mace', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Mace (lacrimator)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 41666', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenacyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenyl chloromethyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Chloroacetophenone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ω-Chloroacetophenone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-27-4', 'https://commonchemistry.cas.org/detail?cas_rn=532-27-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-chloro-1-phenylethanone||dimension=Environmental > media=Ground > geography=Unknown; cas=532-27-4; added Common Chemistry CAS names as altLabel: (2-Chloro-1-oxoethyl)benzene, (Chloroacetyl)benzene, 1-Phenyl-2-chloro-1-ethanone, 2-Chloro-1-phenyl-1-ethanone, 2-Chloroacetophenone, Acetophenone, 2-chloro-, Acetophenone, α-chloro-, Agent CNB, Agent CNC, Benzoylmethyl chloride, CAF, CAP, CN, CN (lacrimator), CNB, CNB (chemical warfare agent), CNC, Chloracetophenone, Chloroacetophenone, Chloromethyl phenyl ketone, Ethanone, 2-chloro-1-phenyl-, Mace, Mace (lacrimator), NSC 41666, Phenacyl chloride, Phenyl chloromethyl ketone, α-Chloroacetophenone, ω-Chloroacetophenone; object_uuid=fo-a8cac37e9a35adf2
cas_match_labels None {'532-27-4': 'exactMatch'} group_key=2-chloro-1-phenylethanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'532-27-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a8cac37e9a35adf2: {'532-27-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "4d9a8790-3ddd-11dd-8c9f-0050c2490048",
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          "Emissions to water, unspecified (long-term)"
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