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Ammonium 3-amino-2,5-dichlorobenzoate

2D structure
UUID 35fa9932-34c1-4594-9291-08f9ed1ff369
Deprecated yes
Replaced By fa41e4af-09c8-4f93-ba8b-598fa6105387
Flow Object IDfo-02d852f2ce0148da
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 1076-46-6
EC Numbers 214-062-3
prefLabel
Language Value Provenance
en Ammonium 3-amino-2,5-dichlorobenzoate
altLabel
Language Value Provenance
en Amiben ammonium salt
en Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt
en Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt (1:1)
en Benzoic acid, 3-amino-2,5-dichloro-, monoammonium salt
en Chloramben ammonium salt
en Chloramben-ammonium
References
Shared Properties
Predicate Value
InChIKey RSSKZIYCSDAOJD-UHFFFAOYSA-N, RSSKZIYCSDAOJD-UHFFFAOYSA-O
InChI InChI=1S/C7H5Cl2NO2.H3N/c8-3-1-4(7(11)12)6(9)5(10)2-3;/h1-2H,10H2,(H,11,12);1H3, InChI=1S/C7H5Cl2NO2.H3N/c8-3-1-4(7(11)12)6(9)5(10)2-3;/h1-2H,10H2,(H,11,12);1H3/p+1
IUPAC name 3-amino-2,5-dichloro-benzoic acid;ammonia, 3-amino-2,5-dichlorobenzoic acid;ammonia, 3-amino-2,5-dichlorobenzoic acid;azane, ammonium 3-amino-2,5-dichloro-benzoate, ammonium 3-amino-2,5-dichloro-benzoic acid, ammonium 3-amino-2,5-dichlorobenzoate, ammonium 3-amino-2,5-dichlorobenzoic acid, azane;3-azanyl-2,5-bis(chloranyl)benzoic acid, azanium 3-amino-2,5-dichlorobenzoate, azanium 3-amino-2,5-dichlorobenzoic acid, azanium 3-azanyl-2,5-bis(chloranyl)benzoate, azanium 3-azanyl-2,5-bis(chloranyl)benzoic acid
Molecular formula C7H8Cl2N2O2, C7H9Cl2N2O2+
Molecular mass 223.059
Monoisotopic mass 221.996283
SMILES C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl.N, C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl.[NH4+], C1=C(C=C(C(=C1C(=O)[O-])Cl)N)Cl.[NH4+], N.Nc1cc(Cl)cc(C(=O)O)c1Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 35fa9932-34c1-4594-9291-08f9ed1ff369 ammonium 3-amino-2,5-dichlorobenzoate

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=ammonium3-amino-2,5-dichlorobenzoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1076-46-6; added Common Chemistry CAS names as altLabel: Amiben ammonium salt, Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt, Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt (1:1), Benzoic acid, 3-amino-2,5-dichloro-, monoammonium salt, Chloramben ammonium salt, Chloramben-ammonium; object_uuid=fo-02d852f2ce0148da
cas_match_labels 1 consensus_match group_key=ammonium3-amino-2,5-dichlorobenzoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1076-46-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02d852f2ce0148da: {'1076-46-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Amiben ammonium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1076-46-6', 'https://commonchemistry.cas.org/detail?cas_rn=1076-46-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1076-46-6', 'https://commonchemistry.cas.org/detail?cas_rn=1076-46-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1076-46-6', 'https://commonchemistry.cas.org/detail?cas_rn=1076-46-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 3-amino-2,5-dichloro-, monoammonium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1076-46-6', 'https://commonchemistry.cas.org/detail?cas_rn=1076-46-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chloramben ammonium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1076-46-6', 'https://commonchemistry.cas.org/detail?cas_rn=1076-46-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chloramben-ammonium', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1076-46-6', 'https://commonchemistry.cas.org/detail?cas_rn=1076-46-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=ammonium3-amino-2,5-dichlorobenzoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1076-46-6; added Common Chemistry CAS names as altLabel: Amiben ammonium salt, Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt, Benzoic acid, 3-amino-2,5-dichloro-, ammonium salt (1:1), Benzoic acid, 3-amino-2,5-dichloro-, monoammonium salt, Chloramben ammonium salt, Chloramben-ammonium; object_uuid=fo-02d852f2ce0148da
cas_match_labels None {'1076-46-6': 'exactMatch'} group_key=ammonium3-amino-2,5-dichlorobenzoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1076-46-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-02d852f2ce0148da: {'1076-46-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "general_comment": "Correct mapping CAS and flow to be verified: yet unclear whether this is the sodium-, hydrochloride-, calcium-, potassium- or other salt or the pure substance that is emitted. Note that the CAS No is the relevant identifier, to which also the ILCD LCIA characterisation factors relate. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
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