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2-chloro-4-(methylsulfonyl)benzoic Acid

Flow Object IDfo-23b75f96da415ee2
TypeConsensus
prefLabel
Label Language
2-chloro-4-(methylsulfonyl)benzoic Acid en
Alt Labels
Label Language Provenance
Benzoic acid, 2-chloro-4-(methylsulfonyl)- en —
CAS Numbers53250-83-2
EC Numbers406-520-8
Changes Applied26

Properties

Predicate Value
InChIKey CTTWSFIIFMWHLQ-UHFFFAOYSA-N, MXLOXEYDURVFRT-UHFFFAOYSA-N
InChI InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11), InChI=1S/C8H7ClO4S/c1-4-2-3-5(8(10)11)6(9)7(4)14(12)13/h2-3,6H,1H3,(H,10,11)
IUPAC name 2-chloranyl-4-methylsulfonyl-benzoic acid, 2-chloro-4-mesyl-benzoic acid, 2-chloro-4-methylsulfonyl-benzoic acid, 2-chloro-4-methylsulfonylbenzoic acid, 6-chloranyl-4-methyl-5-sulfonyl-cyclohexa-1,3-diene-1-carboxylic acid, 6-chloro-4-methyl-5-sulfonyl-1-cyclohexa-1,3-dienecarboxylic acid, 6-chloro-4-methyl-5-sulfonyl-cyclohexa-1,3-diene-1-carboxylic acid, 6-chloro-4-methyl-5-sulfonylcyclohexa-1,3-diene-1-carboxylic acid
Molecular formula C8H7ClO4S
SMILES CC1=CC=C(C(C1=S(=O)=O)Cl)C(=O)O, CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
a57574b0… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
ab7c9416… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
4578601e… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
031a4be3… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
0accf60f… EF 3.1 kg Environmental → Air → Unknown 4 2
45c68222… EF 3.1 kg Environmental → Air → Unknown 4 2
88ba94d8… EF 3.1 kg Environmental → Ground → Agricultural 4 2
64159d0e… EF 3.1 kg Environmental → Ground → Unknown 4 2
69abd31f… EF 3.1 kg Environmental → Water → Ocean 4 2
319b8504… EF 3.1 kg Environmental → Water → Surface water 4 2
72327ada… EF 3.1 kg Environmental → Water → Unknown 4 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
031a4be3… altLabel — [{"@value":"Benzoic acid, 2-chloro-4-(methylsulfonyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:53250-83-2","https://commonchemistry.cas.org/detail?cas_rn=53250-83-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=53250-83-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-chloro-4-(methylsulfonyl)-; object_uuid=fo-23b75f96da415ee2
031a4be3… cas_match_labels — {"53250-83-2":"exactMatch"} group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'53250-83-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-23b75f96da415ee2: {'53250-83-2': 'exactMatch'}
0accf60f… altLabel — [{"@value":"Benzoic acid, 2-chloro-4-(methylsulfonyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:53250-83-2","https://commonchemistry.cas.org/detail?cas_rn=53250-83-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=53250-83-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-chloro-4-(methylsulfonyl)-; object_uuid=fo-23b75f96da415ee2
0accf60f… cas_match_labels — {"53250-83-2":"exactMatch"} group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'53250-83-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-23b75f96da415ee2: {'53250-83-2': 'exactMatch'}
319b8504… altLabel — [{"@value":"Benzoic acid, 2-chloro-4-(methylsulfonyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:53250-83-2","https://commonchemistry.cas.org/detail?cas_rn=53250-83-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=53250-83-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-chloro-4-(methylsulfonyl)-; object_uuid=fo-23b75f96da415ee2
319b8504… cas_match_labels — {"53250-83-2":"exactMatch"} group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'53250-83-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-23b75f96da415ee2: {'53250-83-2': 'exactMatch'}
4578601e… altLabel — [{"@value":"Benzoic acid, 2-chloro-4-(methylsulfonyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:53250-83-2","https://commonchemistry.cas.org/detail?cas_rn=53250-83-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=53250-83-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-chloro-4-(methylsulfonyl)-; object_uuid=fo-23b75f96da415ee2
4578601e… cas_match_labels — {"53250-83-2":"exactMatch"} group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'53250-83-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-23b75f96da415ee2: {'53250-83-2': 'exactMatch'}
45c68222… altLabel — [{"@value":"Benzoic acid, 2-chloro-4-(methylsulfonyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:53250-83-2","https://commonchemistry.cas.org/detail?cas_rn=53250-83-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=53250-83-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-chloro-4-(methylsulfonyl)-; object_uuid=fo-23b75f96da415ee2
45c68222… cas_match_labels — {"53250-83-2":"exactMatch"} group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'53250-83-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-23b75f96da415ee2: {'53250-83-2': 'exactMatch'}
64159d0e… altLabel — [{"@value":"Benzoic acid, 2-chloro-4-(methylsulfonyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:53250-83-2","https://commonchemistry.cas.org/detail?cas_rn=53250-83-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=53250-83-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-chloro-4-(methylsulfonyl)-; object_uuid=fo-23b75f96da415ee2
64159d0e… cas_match_labels — {"53250-83-2":"exactMatch"} group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'53250-83-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-23b75f96da415ee2: {'53250-83-2': 'exactMatch'}
69abd31f… altLabel — [{"@value":"Benzoic acid, 2-chloro-4-(methylsulfonyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:53250-83-2","https://commonchemistry.cas.org/detail?cas_rn=53250-83-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=53250-83-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-chloro-4-(methylsulfonyl)-; object_uuid=fo-23b75f96da415ee2
69abd31f… cas_match_labels — {"53250-83-2":"exactMatch"} group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'53250-83-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-23b75f96da415ee2: {'53250-83-2': 'exactMatch'}
72327ada… altLabel — [{"@value":"Benzoic acid, 2-chloro-4-(methylsulfonyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:53250-83-2","https://commonchemistry.cas.org/detail?cas_rn=53250-83-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=53250-83-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-chloro-4-(methylsulfonyl)-; object_uuid=fo-23b75f96da415ee2
72327ada… cas_match_labels — {"53250-83-2":"exactMatch"} group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'53250-83-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-23b75f96da415ee2: {'53250-83-2': 'exactMatch'}
88ba94d8… altLabel — [{"@value":"Benzoic acid, 2-chloro-4-(methylsulfonyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:53250-83-2","https://commonchemistry.cas.org/detail?cas_rn=53250-83-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=53250-83-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-chloro-4-(methylsulfonyl)-; object_uuid=fo-23b75f96da415ee2
88ba94d8… cas_match_labels — {"53250-83-2":"exactMatch"} group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'53250-83-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-23b75f96da415ee2: {'53250-83-2': 'exactMatch'}
a57574b0… altLabel — [{"@value":"Benzoic acid, 2-chloro-4-(methylsulfonyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:53250-83-2","https://commonchemistry.cas.org/detail?cas_rn=53250-83-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=53250-83-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-chloro-4-(methylsulfonyl)-; object_uuid=fo-23b75f96da415ee2
a57574b0… cas_match_labels — {"53250-83-2":"exactMatch"} group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'53250-83-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-23b75f96da415ee2: {'53250-83-2': 'exactMatch'}
ab7c9416… altLabel — [{"@value":"Benzoic acid, 2-chloro-4-(methylsulfonyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:53250-83-2","https://commonchemistry.cas.org/detail?cas_rn=53250-83-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=53250-83-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-chloro-4-(methylsulfonyl)-; object_uuid=fo-23b75f96da415ee2
ab7c9416… cas_match_labels — {"53250-83-2":"exactMatch"} group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'53250-83-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-23b75f96da415ee2: {'53250-83-2': 'exactMatch'}
ca2b0119… altLabel — [{"@value":"Benzoic acid, 2-chloro-4-(methylsulfonyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:53250-83-2","https://commonchemistry.cas.org/detail?cas_rn=53250-83-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=53250-83-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-chloro-4-(methylsulfonyl)-; object_uuid=fo-23b75f96da415ee2
ca2b0119… cas_match_labels — {"53250-83-2":"exactMatch"} group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'53250-83-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-23b75f96da415ee2: {'53250-83-2': 'exactMatch'}
e55c3a55… altLabel — [{"@value":"Benzoic acid, 2-chloro-4-(methylsulfonyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:53250-83-2","https://commonchemistry.cas.org/detail?cas_rn=53250-83-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=53250-83-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-chloro-4-(methylsulfonyl)-; object_uuid=fo-23b75f96da415ee2
e55c3a55… cas_match_labels — {"53250-83-2":"exactMatch"} group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'53250-83-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-23b75f96da415ee2: {'53250-83-2': 'exactMatch'}

Flow Object JSON

{
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      "@value": "2-chloro-4-(methylsulfonyl)benzoic Acid",
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  ],
  "altLabel": [
    {
      "@value": "Benzoic acid, 2-chloro-4-(methylsulfonyl)-",
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  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H7ClO4S"
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      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "CTTWSFIIFMWHLQ-UHFFFAOYSA-N",
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    "https://w3id.org/chemrof/smiles_string": {
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      "@value": [
        "CC1=CC=C(C(C1=S(=O)=O)Cl)C(=O)O",
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      "rdfs:label": "SMILES",
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        "InChI=1S/C8H7ClO4S/c1-4-2-3-5(8(10)11)6(9)7(4)14(12)13/h2-3,6H,1H3,(H,10,11)"
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    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
        "2-chloranyl-4-methylsulfonyl-benzoic acid",
        "2-chloro-4-mesyl-benzoic acid",
        "2-chloro-4-methylsulfonyl-benzoic acid",
        "2-chloro-4-methylsulfonylbenzoic acid",
        "6-chloranyl-4-methyl-5-sulfonyl-cyclohexa-1,3-diene-1-carboxylic acid",
        "6-chloro-4-methyl-5-sulfonyl-1-cyclohexa-1,3-dienecarboxylic acid",
        "6-chloro-4-methyl-5-sulfonyl-cyclohexa-1,3-diene-1-carboxylic acid",
        "6-chloro-4-methyl-5-sulfonylcyclohexa-1,3-diene-1-carboxylic acid"
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  "references": [
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